Basic information
- CAS
5291-95-2- Standard SMILES
CN(C)c1cccc(C(=O)NC#N)c1- InChIKey
WPEMXOPYUPPBQV-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- n-Cyano-3-(dimethylamino)benzamide
- IUPAC
- N-cyano-3-(dimethylamino)benzamide
Names & synonyms
5291-95-2n-cyano-3-(dimethylamino)benzamideNSC118391DTXSID90297826AKOS017747020NSC-118391
Database identifiers
- CAS
5291-95-2- PubChem CID
- 273271
- DTXSID
DTXSID90297826
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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