Basic information
- CAS
5009-07-4- Standard SMILES
CCC(C#N)(NC(C)=O)c1ccccc1- InChIKey
XXJOYBGWMQMEQQ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-
- IUPAC
- N-(1-cyano-1-phenylpropyl)acetamide
- English name
- N-(α-Cyano-α-ethylbenzyl)acetamide
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
5009-07-4Acetamide, N-(alpha-cyano-alpha-ethylbenzyl)-RefChem:1075376N-(1-cyano-1-phenylpropyl)acetamideN-(alpha-Cyano-alpha-ethylbenzyl)acetamideBRN 2843517Phenyl-2 acetylamino-2 butanenitrileButyronitrile, 2-acetylamino-2-phenyl-Oprea1_384042SCHEMBL7220861DTXSID00964512N-(1-Cyano-1-phenylpropyl)ethanimidic acid
Show more names
N-(α-Cyano-α-ethylbenzyl)acetamideAcetamide, N-(1-cyano-1-phenylpropyl)-
2-14-00-00312 (Beilstein Handbook Reference)AL-182/12958001
Database identifiers
- CAS
5009-07-4- PubChem CID
- 199801
- DTXSID
DTXSID00964512- Nikkaji
- J54.908H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 401.6 · 401.6±38.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.46(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…