Basic information
- CAS
16750-42-8- Standard SMILES
N#CC(N)c1ccccc1- InChIKey
JTIHSSVKTWPPHI-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
Overview
2-amino-2-phenylacetonitrile is a nitrile that is phenylacetonitrile in which one of the alpha-hydrogens is replaced by an amino group. It is a nitrile and a primary amino compound. It is functionally related to a phenylacetonitrile.
Names & identifiers
- Preferred name
- 2-Amino-2-phenylacetonitrile
- IUPAC
- 2-amino-2-phenylacetonitrile
- English name
- Aminophenylacetonitrile
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
2-Amino-2-phenylacetonitrileAlpha-aminophenylacetonitrileCHEBI:77398RefChem:463535815-931-516750-42-8aminophenylacetonitrile110066-41-62-amino-2-phenyl-acetonitrileAmino(phenyl)acetonitrileMFCD000445022-phenylglycinonitrile
Show more names
Benzeneacetonitrile, α-amino-
Benzeneacetonitrile, alpha-amino-NSC118098Amino-phenyl-acetonitrileAmino-phenyl Acetonitrilebenzylamine, alpha-cyano-Amino(phenyl)acetonitrile #Benzeneacetonitrile, a-aMino-SCHEMBL543792
Database identifiers
- CAS
16750-42-8- PubChem CID
- 40838
- ChEBI
CHEBI:77398- EC Number
- 815-931-5
- Nikkaji
- J82.550F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 235.8 · 235.8±28.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 5.03 · 5.03±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers19 total
上海凛南医药科技有限公司15900633975;13262632028
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
河北朵放科技有限公司13127301785 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Additional notes
DefinitionChEBI: 2-amino-2-phenylacetonitrile is a nitrile that is phenylacetonitrile in which one of the alpha-hydrogens is replaced by an amino group. It is a nitrile and a primary amino compound. It is functionally related to a phenylacetonitrile.
Related reactions
21 records
Compound notes
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