1-烯丙基哌嗪 | 13961-36-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-烯丙基哌嗪
• 英文名称: 1-allylpiperazine
• 英文别名: N-allylpiperazine；1-allylpiperazin；1-prop-2-enylpiperazine
• CAS: 13961-36-9
• 化学式: C₇H₁₄N₂
• mdl: MFCD00167970
• 分子量: 126.202
• InChiKey: ZWAQJGHGPPDZSF-UHFFFAOYSA-N

物化性质

• 沸点：
  181-182 °C(lit.)
• 密度：
  0.902 g/mL(lit.)
• 闪点：
  125 °F
• 稳定性/保质期：
  在常温常压下不稳定，应避免与氧化物和空气接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  Xi,C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34,R10
• WGK Germany：
  3
• 海关编码：
  2933599090
• 危险品运输编号：
  UN 2734 8/PG 2
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P210,P233,P240,P241,P242,P243,P260,P264,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P321,P363,P370+P378,P403+P235,P405,P501
• 危险性描述：
  H225,H314
• 储存条件：
  常温密闭避光、通风干燥并置于惰性气体中保存。

SDS

---

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Allylpiperazine
CAS-No. : 13961-36-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

---

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 3)
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Flammable. Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H226 Flammable liquid and vapour.
H314 Causes severe skin burns and eye damage.
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
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10 Flammable.
R34 Causes burns.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C7H14N2
Molecular Weight : 126,2 g/mol
Component Concentration
1-Allylpiperazine
CAS-No. 13961-36-9 -

---

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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Indication of immediate medical attention and special treatment needed
no data available

---

Section 5. FIRE-FIGHTING 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)
Precautions for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, 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.
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).
Reference to other sections
For disposal see section 13.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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 uses
no data available

---

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, Flame retardant antistatic protective clothing, 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).

---

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/freezing point no data available
f) Initial boiling point and 181 - 182 °C - lit.
boiling range
g) Flash point 51,7 °C - closed cup
h) Evaporation 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 0,902 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition 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

---

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

---

Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
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
Potential health effects
Inhalation May be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
Ingestion
May be harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes
Causes eye burns.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

---

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
no data available
Other adverse effects
no data available

---

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as
this material is highly flammable. 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.

---

Section 14. TRANSPORT INFORMATION
UN-Number
ADR/RID: 2734 IMDG: 2734 IATA: 2734
UN proper shipping name
ADR/RID: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. (1-Allylpiperazine)
IMDG: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. (1-Allylpiperazine)
IATA: Amines, liquid, corrosive, flammable, n.o.s. (1-Allylpiperazine)
Transport hazard class(es)
ADR/RID: 8 (3) IMDG: 8 (3) IATA: 8 (3)
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for users
no data available

---

---

SECTION 15 - REGULATORY INFORMATION
N/A

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-烯丙基哌嗪 生成 1-methylethylpiperazine dihydrochloride
  参考文献：
  名称：

  N-substituted derivatives of .alpha.-mercapto alkylamines, their

  摘要：

  所有可能的消旋体、对映体和二对映异构体形式的新型.alpha.-巯基烷胺，其化学式为##STR1##其中n、R.sub.1、R.sub.2、X、A、R.sub.3A和R.sub.4A如权利要求中所述，并且其非毒性、药学上可接受的酸盐具有出色的镇痛、精神活性和脑啡肽酶抑制作用。

  公开号：

  US05190974A1
• 作为产物：
  描述：

  (4-烯丙基哌嗪-1-基)(苯基)甲酮 在 盐酸 作用下， 生成 1-烯丙基哌嗪
  参考文献：
  名称：

  独特的螺环哌嗪鎓盐Ⅰ：螺环哌嗪鎓盐的合成及其构效关系。

  摘要：

  基于化合物3的结构，合成了两个螺环哌嗪鎓衍生物系列7a-n和10a-h，并评估了它们的体内止痛和镇静活性。发现化合物7f和10c显示出优异的镇痛活性。构效关系表明季盐阴离子显着影响镇痛和镇静作用。烯丙基是化合物7a-n中最有效的基团。芳环上电子释放的取代基有利于增加镇痛活性。

  DOI：

  10.1016/s0960-894x(03)00177-x
• 作为试剂：
  描述：

  N-哌嗪甲酸乙酯 、 3-溴丙烯 、 potassium carbonate 、 乙醇 在 乙醇 、 solid 、 1-Prop-2-enylpiperazine-1,4-diium;dichloride 、 水 、 乙醚 、 Sodium sulfate-III 、 1-烯丙基哌嗪 、 3-氯-1-丙醇 、 potassium carbonate 作用下， 反应 84.0h， 以In this way 15 g (45%) of 3-(4-allyl-piperazin-1-yl)-1-hydroxy-propane are obtained的产率得到3-(4-allyl-1-piperazinyl)-1-propanol
  参考文献：
  名称：

  3-(4-Substituted piperazino)-1-xanthene-9-carbonyloxy-propanes

  摘要：

  本发明涉及具有以下式子（I）的新型哌嗪衍生物，其中R1代表具有选择性地在末端碳原子上具有苯基，三甲氧基苯基，苯氧基，甲氧基环己基或庚烷亚甲基取代基的C1-5烷基，烯丙基，具有一个或多个卤素，C1-4烷基，C1-4烷氧基，三卤甲基或烯丙基取代基的苯基，或C2-5烷氧羰基基团；R2代表氢或C1-4烷基；R3代表呋喃基，9-蒽基或具有C1-4烷氧基取代基的C5-6环烷基，或其酸加成盐或季铵盐。本发明还涉及含有上述化合物的制药组合物，以及制备新化合物和制药组合物的方法。根据本发明，新化合物具有抗心律失常和冠状动脉扩张作用。新化合物可通过将式子（II）的化合物与式子（III）R3-COOH（III）或其反应活性衍生物反应制备。

  公开号：

  US04140790A1

文献信息

• [EN] BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME<br/>[FR] LIGANDS DE TYROSINE-KINASE BCR-ABL CAPABLES DE SE DIMÉRISER DANS UNE SOLUTION AQUEUSE, ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：COFERON INC

  公开号：WO2015106292A1

  公开（公告）日：2015-07-16

  Described herein are monomers capable of forming a biologically useful multimer when in contact with one, two, three or more other monomers in an aqueous media. In one aspect, such monomers may be capable of binding to another monomer in an aqueous media (e.g. invivo) to form a multimer (e.g. a dimer). Contemplated monomers may include a ligand moiety, a linker element, and a connector element that joins the ligand moiety and the linker element. In an aqueous media, such contemplated monomers may join together via each linker element and may thus be capable of modulating one or more biomolecules substantially simultaneously, e.g., modulate two or more binding sites on a Bcr-Abl tyrosine kinase.

  本文描述了一种单体，当与水性介质中的另一个、两个、三个或更多其他单体接触时，能够形成生物学上有用的多聚体。在一个方面，这种单体可能能够在水性介质（例如体内）中与另一个单体结合以形成多聚体（例如二聚体）。考虑到的单体可能包括配体基团、连接元素和连接配体基团与连接元素的连接元素。在水性介质中，这些考虑到的单体可以通过每个连接元素结合在一起，因此可以同时调节一个或多个生物分子，例如，调节Bcr-Abl酪氨酸激酶上的两个或更多结合位点。
• Compounds for the treatment of obesity
  申请人：——

  公开号：US20010039277A1

  公开（公告）日：2001-11-08

  NPY antagonists, methods of using such NPY antagonists and pharmaceutical compositions containing such NPY antagonists. The NPY antagonists are useful for the treatment of NPY mediated disease/conditions including obesity.

  NPY拮抗剂，使用此类NPY拮抗剂的方法以及含有此类NPY拮抗剂的药物组合物。这些NPY拮抗剂对于治疗由NPY介导的疾病/症状，包括肥胖症，是有用的。
• [EN] PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5<br/>[FR] DÉRIVÉS DE PYRROLCARBOXAMIDE POUR L'INHIBITION DE L'ERK5
  申请人：CANCER REC TECH LTD

  公开号：WO2016042341A1

  公开（公告）日：2016-03-24

  The invention provides compounds of formula (I) or a tautomer, stereoisomer, N-oxide, pharmaceutically acceptable salt or solvate thereof. The compounds are useful for the prophylaxis or treatment of a disease state or condition mediated by ERK5, in particular cancers.

  这项发明提供了式(I)的化合物或其互变异构体、立体异构体、N-氧化物、药用可接受的盐或溶剂。这些化合物对于预防或治疗由ERK5介导的疾病状态或病况，特别是癌症，具有用处。
• [EN] IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE EN TANT QU'INHIBITEURS DE TYROSINES KINASES RÉCEPTRICES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2009150240A1

  公开（公告）日：2009-12-17

  The invention relates to new bicyclic heterocyclic derivative compounds, to pharmaceutical compositions comprising said compounds and to the use of said compounds in the treatment of diseases, e.g. cancer.

  这项发明涉及新的双环杂环衍生物化合物，包括含有该化合物的药物组合物，以及利用该化合物治疗疾病，例如癌症。
• Substituted piperazines and diazepanes
  申请人：——

  公开号：US20040019039A1

  公开（公告）日：2004-01-29

  A novel class of substituted piperazines and diazepanes, pharmaceutical compositions comprising them and use thereof in the treatment of diseases and disorders related to the histamine H3 receptor. More particularly, the compounds are useful for the treatment of diseases and disorders in which an interaction with the histamine H3 receptor is beneficial.

  一种新型的取代哌嗪和二氮杂环庚烷类化合物，包括它们的药物组合物以及在治疗与组胺H3受体相关的疾病和紊乱中的应用。更具体地说，这些化合物对于治疗需要与组胺H3受体相互作用有益的疾病和紊乱是有用的。