Basic information
- CAS
40591-10-4- Standard SMILES
CN(C)c1ccc(C(=O)C#N)cc1- InChIKey
KYZSCBLSHUOGCZ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 4-(Dimethylamino)benzoyl cyanide
- IUPAC
- 4-(dimethylamino)benzoyl cyanide
Names & synonyms
40591-10-44-(dimethylamino)benzoyl cyanideNSC204921SCHEMBL10921327DTXSID60308554NSC-204921[4-(dimethylamino)phenyl](oxo)acetonitrileDB-0995534-(Dimethylamino)benzene-1-carbonyl cyanide
Database identifiers
- CAS
40591-10-4- PubChem CID
- 307137
- DTXSID
DTXSID60308554- Nikkaji
- J3.411.627J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…