N~2~-甲基丙氨酸酰胺 | 32012-16-1

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 丙氨酸类衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N~2~-甲基丙氨酸酰胺
• 英文名称: 2-(methylamino)propanamide
• CAS: 32012-16-1
• 化学式: C₄H₁₀N₂O
• mdl: MFCD11176109
• 分子量: 102.136
• InChiKey: QKNFFJHHPCWXTH-UHFFFAOYSA-N

物化性质

• 熔点：
  124 °C
• 沸点：
  220.0±23.0 °C(Predicted)
• 密度：
  0.976±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2924199090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : N2-Methylalaninamide
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.
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, Oral (Category 4), H302
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
Xn Harmful R22
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 Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 102,14 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
N2-Methylalaninamide
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
N2-Methylalaninamide
Xn, R22 <= 100 %
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
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
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
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. 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 formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
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.
Storage class (TRGS 510): Non Combustible Solids
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
Safety glasses with side-shields conforming to EN166 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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
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: solid
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 No data available
boiling range
g) Flash point No data available
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 No data available
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
No data available
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5

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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 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: Not available

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
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.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
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：

  N~2~-甲基丙氨酸酰胺 在 氢氧化钾 、 氨 作用下， 生成 N-Methylalanin
  参考文献：
  名称：

  Strecker等人的系统—XI：α-羧基氨基腈的形成和稳定。

  摘要：

  Bucherer-Bergs反应中中间体结构的确定（醛在乙醛水溶液中通过乙内酰脲转化为相应的氨基酸）表明该反应涉及α-氨基腈氨基甲酸酯的形成。由碳酸盐缓冲液缓慢形成碳酸酐，限制了与α-氨基腈处于平衡状态的主要中间体的形成。氨基甲酸酯的稳定性相对于pH的变化主要取决于混合物中溶解的CO 2浓度，还取决于由α-氨基腈降解形成的产物的平衡形成，即氨基二腈和氰醇。

  DOI：

  10.1016/0040-4020(80)80137-2
• 作为产物：
  描述：

  N-Methylalanin 在 氨 作用下， 以 甲醇 为溶剂， 生成 N~2~-甲基丙氨酸酰胺
  参考文献：
  名称：

  ω-（对硝基苯基）-乙内酰胺酰胺环化的动力学和机理：质子转移的位阻导致速率变化10（4）倍。

  摘要：

  环化2,3-二甲基和2,2,3-三甲基乙内酰胺（分别为2-UAm和3-UAm）的pH速率曲线与相应的N-甲基化酰胺2环化的pH速率曲线显着不同2 -MUAm和3-MUAm; 其中水反应占主导地位，跨越约6个pH单位。对于UAm的环化，平台期不超过两个pH单位。差异是由于N-甲基酰胺的碱催化环化较慢。该氢氧化物催化的反应的溶剂动力学同位素效应接近1.2，这与带负电荷的四面体中间体的氨基的水质子化缓慢相一致。使用最多8个pKBH的碱可以观察到一般的碱催化作用。Brønstedbeta与GBC的氢键作用机理兼容。在宝石二甲基化合物3中，离去基团的两侧是取代基。3-MUAm中的N-甲基会阻碍质子的正面进入，从而导致速率降低14000倍。这是在2位上有一个甲基的化合物中的3800倍。

  DOI：

  10.1039/b211040g

文献信息

• [EN] HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES<br/>[FR] COMPOSÉS D'HÉTÉROARYL-1,2,4-TRIAZOLE ET D'HÉTÉROARYL-TÉTRAZOLE POUR LUTTER CONTRE LES ECTOPARASITES
  申请人：ELANCO TIERGESUNDHEIT AG

  公开号：WO2017192385A1

  公开（公告）日：2017-11-09

  The present invention provides compounds of the formula : (I) wherein: X is O or S; Q1 and Q2 are independently CR5 or N, provided at least one of Q1 and Q2 is N; Y is a direct bond or CH2; R1 is H, optionally substituted alkyl, alkenyl, alkynyl, cycloalkylalkyl, benzyl or oxetan-3-yl-CH2-; R2 is optionally substituted phenyl, pyridine, pyrimidine, pyrazine or pyridazine; R3 is alkyl or haloalkyl; R4 is optionally substituted pyridine, pyrimidine, pyrazine or pyridazine; R5 is H, alkyl, haloalkyl, cycloalkyl, alkoxy, alkoxyC(O)- or (alkoxy) 2CH-; or a salt thereof. The compounds are useful for controlling ectoparasites on animals.

  本发明提供了以下式(I)的化合物：其中：X为O或S；Q1和Q2独立地为CR5或N，要求Q1和Q2中至少有一个为N；Y为直接键或CH2；R1为H，可选地取代的烷基，烯基，炔基，环烷基烷基，苄基或氧杂环戊烷-3-基-CH2-；R2为可选取代的苯基，吡啶，嘧啶，吡嗪或吡啉；R3为烷基或卤代烷基；R4为可选取代的吡啶，嘧啶，吡嗪或吡啉；R5为H，烷基，卤代烷基，环烷基，烷氧基，烷氧基C(O)-或(烷氧基)2CH-；或其盐。这些化合物对于控制动物体表寄生虫是有用的。
• Pascal, R.; Lasperas, M.; Taillades, J., Bulletin de la Societe Chimique de France, 1984, vol. 2, # 7-8, p. 329 - 337
  作者：Pascal, R.、Lasperas, M.、Taillades, J.、Commeyras, A.、Perez-Rubalcaba, A.

  DOI：——

  日期：——
• Taillades, Jacques, Bulletin de la Societe Chimique de France, 1996, vol. 133, # 1, p. 89 - 100
  作者：Taillades, Jacques

  DOI：——

  日期：——
• Jacquier,R. et al., Bulletin de la Societe Chimique de France, 1971, p. 1040 - 1051
  作者：Jacquier,R. et al.

  DOI：——

  日期：——
• WO2020094363A5
  申请人：——

  公开号：WO2020094363A5

  公开（公告）日：2022-10-21