Basic information
- Standard SMILES
Cc1cc(C#N)cc(CN)c1- InChIKey
VSUNCJFUKGNTMR-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-5-methylbenzylamine
- IUPAC
- 3-(aminomethyl)-5-methylbenzonitrile
Names & synonyms
3-(AMINOMETHYL)-5-METHYLBENZONITRILE202521-98-03-CYANO-5-METHYLBENZYLAMINESCHEMBL7896912VSUNCJFUKGNTMR-UHFFFAOYSA-NAB75613
Database identifiers
- PubChem CID
- 17819344
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Related reactions
1 records
Compound notes
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