Basic information
- CAS
55379-75-4- Standard SMILES
N#CC(N)Cc1ccccc1- InChIKey
AVXNAHRDJXOJHT-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-phenylpropanenitrile
- IUPAC
- 2-amino-3-phenylpropanenitrile
- English name
- 2-amino-3-phenylpropanenitrile
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
2-Amino-3-phenylpropanenitrile55379-75-4V3TEX94LGGRefChem:1062168MFCD007974642-Amino-3-phenylpropionitrilealpha-AminobenzenepropanenitrileBenzenepropanenitrile, alpha-amino-UNII-V3TEX94LGG2-Amino-3-phenylpropannitril3-Phenyl-2-aminopropanenitrileCHEMBL267552
Show more names
Benzenepropanenitrile, α-amino-
SCHEMBL15986782-Amino-3-phenyl-propionitrile2-amino-3-phenyl-propanenitrile2-amino -3-phenyl-propionitrile2-Amino-3-phenylpropanenitrile #rac-2-amino-3-phenylpropionitrileFCA37975AKOS000139079
Database identifiers
- CAS
55379-75-4- PubChem CID
- 561384
- ChEMBL
CHEMBL267552- UNII
- V3TEX94LGG
- Nikkaji
- J485.063G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 167 · 167-168 °C (decomp)
- Boiling point
- 285.2 · 285.2±28.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 5.16 · 5.16±0.33(Predicted)
- FDA UNII
- 3 TEX94LGG · V3TEX94LGG
Chemistry & industry
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
11 records
Compound notes
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