Basic information
- CAS
786700-82-1- Standard SMILES
COc1ccc(NCCCC#N)c(C)c1- InChIKey
CWTJEPCWJTZCIP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
Names & identifiers
- Preferred name
- 4-[(4-Methoxy-2-methylphenyl)amino]butanenitrile
- IUPAC
- 4-(4-methoxy-2-methylanilino)butanenitrile
- English name
- Butanenitrile, 4-[(4-methoxy-2-methylphenyl)amino]- (9CI)
- Molecular formula
- C12H16N2O
- Molecular weight
- 204.26824
Names & synonyms
786700-82-14-[(4-Methoxy-2-methylphenyl)amino]butanenitrileSCHEMBL2194076CWTJEPCWJTZCIP-UHFFFAOYSA-NAKOS012166912DB-2751644-{[2-Methyl-4-(methyloxy)phenyl]amino}butanenitrileBUTANENITRILE, 4-[(4-METHOXY-2-METHYLPHENYL)AMINO]-Butanenitrile, 4-[(4-methoxy-2-methylphenyl)amino]- (9CI)
Database identifiers
- CAS
786700-82-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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