2-Cyano-2-phenylacetamide
Basic information
- CAS
771-84-6- Standard SMILES
N#CC(C(N)=O)c1ccccc1- InChIKey
DJEAUFPPXDHFCN-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 2-Cyano-2-phenylacetamide
- IUPAC
- 2-cyano-2-phenylacetamide
- English name
- Benzeneacetamide, -alpha--cyano-
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
2-cyano-2-phenylacetamide771-84-6MFCD17240132Benzeneacetamide, alpha-cyano-NSC-11338PhenylcyanacetamidNSC11338YEA3GC6VDValpha-Cyanobenzeneacetamide2-cyano-2-phenyl-acetamideSCHEMBL2771881SCHEMBL3062185
Show more names
Benzeneacetamide, α-cyano-Benzeneacetamide, -alpha--cyano-
DTXSID50279128DJEAUFPPXDHFCN-UHFFFAOYSA-N2-Cyano-2-phenylacetic acid amideBenzeneacetamide, -alpha--cyano-NSC 11338AKOS012172992SB76311DS-18033
Database identifiers
- CAS
771-84-6- PubChem CID
- 223587
- DTXSID
DTXSID50279128- UNII
- YEA3GC6VDV
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 345.9 · 345.9±35.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 17.27 · 17.27±0.50(Predicted)
Related reactions
2 records
Compound notes
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