2-((Cyanomethyl)amino)benzamide
Basic information
- CAS
88203-05-8- Standard SMILES
N#CCNc1ccccc1C(N)=O- InChIKey
CXUDIIIEZHHTDL-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 2-((Cyanomethyl)amino)benzamide
- IUPAC
- 2-(cyanomethylamino)benzamide
- English name
- 2-[(Cyanomethyl)amino]benzamide
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
Benzamide, o-((cyanomethyl)amino)-88203-05-82-[(Cyanomethyl)amino]benzamideDTXSID702368942-((Cyanomethyl)amino)benzamideRefChem:1060564DTXCID00159385o-((Cyanomethyl)amino)benzamideBenzamide, 2-((cyanomethyl)amino)-Benzamide, 2-[(cyanomethyl)amino]-2-Cyanmethylamino-benzamido-[(Cyanomethyl)amino]benzamide
Database identifiers
- CAS
88203-05-8- PubChem CID
- 3086271
- DTXSID
DTXSID70236894- Nikkaji
- J68.079F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
LogP0.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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