4-[[(4-Methoxyphenyl)methyl-methylamino]diazenyl]benzonitrile
Basic information
- CAS
66975-12-0- Standard SMILES
COc1ccc(CN(C)N=Nc2ccc(C#N)cc2)cc1- InChIKey
JILBEADYFRIZPK-UHFFFAOYSA-N- Molecular formula
- C16H16N4O
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13241115
Names & identifiers
- Preferred name
- 4-[[(4-Methoxyphenyl)methyl-methylamino]diazenyl]benzonitrile
- IUPAC
- 4-[[(4-methoxyphenyl)methyl-methylamino]diazenyl]benzonitrile
Names & synonyms
66975-12-04-[[(4-methoxyphenyl)methyl-methylamino]diazenyl]benzonitrileNSC220338CHEMBL3250812DTXSID90309973NSC-2203384-{(1E)-3-[(4-Methoxyphenyl)methyl]-3-methyltriaz-1-en-1-yl}benzonitrile
Database identifiers
- CAS
66975-12-0- PubChem CID
- 312124
- DTXSID
DTXSID90309973- ChEMBL
CHEMBL3250812
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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