2-(丙氨基)乙醇 | 16369-21-4

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(丙氨基)乙醇
• 中文别名: 2-(丙基氨基)乙醇
• 英文名称: N-(2-hydroxyethyl)-N-propylamine
• 英文别名: 2-(Propylamino)ethanol；2-(propylamino)ethan-1-ol
• CAS: 16369-21-4
• 化学式: C₅H₁₃NO
• mdl: MFCD00002844
• 分子量: 103.164
• InChiKey: BCLSJHWBDUYDTR-UHFFFAOYSA-N

物化性质

• 熔点：
  29.84°C (estimate)
• 沸点：
  182 °C (lit.)
• 密度：
  0.9 g/mL at 25 °C (lit.)
• 闪点：
  178 °F
• 稳定性/保质期：

  按规定使用该产品不会分解，并应注意避免与氧化剂、热源及明火接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  7
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 危险类别码：
  R20/21/22,R34
• 危险品运输编号：
  UN 2735 8/PG 2
• WGK Germany：
  3
• RTECS号：
  KM2885000
• 海关编码：
  2922199090
• 安全说明：
  S26,S36/37/39,S45
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319
• 储存条件：
  存于密闭、阴凉、干燥处。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-(Propylamino)ethanol
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 16369-21-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Inhalation (Category 4), H332
Acute toxicity, Dermal (Category 4), H312
Acute toxicity, Oral (Category 4), H302
Skin corrosion (Category 1B), H314
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
C Corrosive R20/21/22, R34
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H314 Causes severe skin burns and eye damage.
H332 Harmful if inhaled.
Precautionary statement(s)
P280 Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310 Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : N-Propylethanolamine
Formula : C5H13NO
Molecular Weight : 103,16 g/mol
CAS-No. : 16369-21-4
EC-No. : 240-426-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-(Propylamino)ethanol
CAS-No. 16369-21-4 Acute Tox. 4; Skin Corr. 1B; <= 100 %
EC-No. 240-426-6 H302, H312, H314, H332
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-(Propylamino)ethanol
CAS-No. 16369-21-4 C, R20/21/22 - R34 <= 100 %
EC-No. 240-426-6
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13). Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
tested and approved under appropriate government standards such as NIOSH (US) or EN
166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: liquid
Colour: colourless
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 182 °C - lit.
boiling range
g) Flash point 78 °C - closed cup
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 0,9 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agentsStrong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Dermal - rat - 1.797 mg/kg
Remarks: Sense Organs and Special Senses (Nose, Eye, Ear, and Taste):Eye:Chromodacryorrhea.
Behavioral:Tremor. Prolonged skin contact may cause skin irritation and/or dermatitis.
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: KM2885000
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
This combustible material may be burned in a chemical incinerator equipped with an afterburner and
scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 2735 IMDG: 2735 IATA: 2735
UN proper shipping name
ADR/RID: AMINES, LIQUID, CORROSIVE, N.O.S. (2-(Propylamino)ethanol)
IMDG: AMINES, LIQUID, CORROSIVE, N.O.S. (2-(Propylamino)ethanol)
IATA: Amines, liquid, corrosive, n.o.s. (2-(Propylamino)ethanol)
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H314 Causes severe skin burns and eye damage.
H332 Harmful if inhaled.
Skin Corr. Skin corrosion
Full text of R-phrases referred to under sections 2 and 3
C Corrosive
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
R34 Causes burns.
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  2-(丙氨基)乙醇 在 氯化亚砜 、 苯 作用下， 生成 (2-chloro-ethyl)-(5-chloro-[2]thienylmethyl)-propyl-amine
  参考文献：
  名称：

  Histamine Antagonists. VII. Phenothiazine Derivatives¹

  摘要：

  DOI：

  10.1021/ja01164a060
• 作为产物：
  描述：

  2-vinyloxyethylpropylamine 在 硫酸 作用下， 反应 3.0h， 以52%的产率得到2-(丙氨基)乙醇
  参考文献：
  名称：

  Synthesis of new 3-substituted 1,3-oxazolidine-2-thiones

  摘要：

  Reaction of N-alkylsubstituted ethanolamines with carbon disulfide followed by reaction with benzoyl chloride afforded N-substituted oxazolidine-2-thiones.

  DOI：

  10.1134/s1070363217060299

文献信息

• [EN] PHOSPHONOOXY QUINAZOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE<br/>[FR] DERIVES DE PHOSPHONOOXY QUINAZOLINE ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2004058781A1

  公开（公告）日：2004-07-15

  Quinazoline derivatives of formula (I) wherein A is 5-membered heteroaryl containing a nitrogen atom and one or two further nitrogen atoms; compositions containing them, processes for their preparation and their use in therapy.

  式(I)中的喹唑啉衍生物，其中A是含有一个氮原子和一个或两个进一步氮原子的5-成员杂环芳基；含有它们的组合物，其制备方法以及它们在治疗中的用途。
• Structural Requirements for Binding of Anandamide-Type Compounds to the Brain Cannabinoid Receptor
  作者：Tzviel Sheskin、Lumir Hanuš、Joram Slager、Zvi Vogel、Raphael Mechoulam

  DOI：10.1021/jm960752x

  日期：1997.2.1

  inactive or less active than comparable compounds in the n-6 series. Alkylation or dialkylation of the alpha carbon adjacent to the carbonyl group retains the level of binding in the case of anandamide (compounds 48, 49); however, alpha-monomethylation or alpha,alpha-dimethylation of N-propyl derivatives (50-53) potentiates binding and leads to the most active compounds seen in the present work (Ki values

  为了建立与脑大麻素受体（CB1）结合的结构要求，我们合成了许多脂肪酸酰胺，乙醇酰胺和一些相关的简单衍生物，并确定了它们的Ki值。还检查了一些α-甲基或α，α-二甲基花生四烯酰基烷基酰胺。在20：4，n-6系列中，未取代的酰胺是惰性的；N-单烷基化，至少直至分支的戊基，导致显着的结合。N，N-二烷基化，在一个烷基上具有或不具有羟基化，导致活性的消除。在ω碳原子上的N-单烷基的羟基化保持活性。在20x，n-6序列中，x必须为3或4；否则，x为3。只有两个双键的存在会导致失活。在n-3系列中 报告的有限数据表明，衍生的乙醇酰胺比n-6系列中的同类化合物无活性或活性较低。对于邻氨基苯甲酰胺（化合物48、49），与羰基相邻的α碳的烷基化或二烷基化保持结合水平。但是，N-丙基衍生物（50-53）的α-单甲基化或α，α-二甲基化可增强结合并导致本研究中活性最高的化合物（Ki值为6.9 +/- 0.7至8
• Tnf-alpha production inhibitors
  申请人：——

  公开号：US20030032623A1

  公开（公告）日：2003-02-13

  A purpose of the present invention is to provide TNF-&agr; production inhibitors being useful as therapeutic agents for autoimmune diseases such as rheumatoid arthritis. Novel compounds having the structure represented by the general formula [1] or salts thereof according to the present invention have excellent TNF-&agr; production inhibitory activities, 1 wherein “A” is —(NR 4 )—, —(CR 5 R 6 )— or —O—, “B” is alkylene or alkenylene, R 1 , R 2 , R 4 , R 5 and R 6 are hydrogen, alkyl, alkenyl, adamantyl or the like, R 3 is aryl or an unsaturated heterocycle, and “X” is oxygen or sulfer respectively.

  本发明的一个目的是提供作为类风湿性关节炎等自身免疫疾病治疗剂有用的TNF-α产生抑制剂。根据本发明具有由通式[1]表示的结构或其盐的新化合物具有出色的TNF-α产生抑制活性， 1 其中“A”为—(NR 4 )—，—(CR 5 R 6 )—或—O—，“B”为烷基或烯烃基，R 1 ，R 2 ，R 4 ，R 5 和R 6 为氢，烷基，烯烃基，金刚烷基或类似物，R 3 为芳基或不饱和杂环，而“X”分别为氧或硫。
• [EN] BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS<br/>[FR] COMPOSÉS BIARYLES UTILES EN TANT QU'IMMUNOMODULATEURS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018044963A1

  公开（公告）日：2018-03-08

  The present disclosure generally relates to compounds useful as immunomodulators. Provided herein are compounds, compositions comprising such compounds, and methods of their use. The disclosure further pertains to pharmaceutical compositions comprising at least one compound according to the disclosure that are useful for the treatment of various diseases, including cancer and infectious diseases.

  本公开涉及通常用作免疫调节剂的化合物。本文提供了包含这些化合物的组合物，以及它们的使用方法。该公开进一步涉及包含至少一种根据本公开的化合物的药物组合物，用于治疗各种疾病，包括癌症和传染病。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] DERIVES DE QUINAZOLINE POUR LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2004094410A1

  公开（公告）日：2004-11-04

  Quinazoline derivatives of formula (I); for use in the treatment of proliferative diseases such as cancer and in the preparation of medicaments for use in the treatment of proliferative diseases, and to processes for their preparation, as well as pharmaceutical compositions containing them as active ingredient.

  公式（I）的喹唑啉衍生物；用于治疗癌症等增殖性疾病，并用于制备用于治疗增殖性疾病的药物，以及它们的制备方法，以及含有它们作为活性成分的药物组合物。

表征谱图