Basic information
- CAS
65542-21-4- Standard SMILES
CN(Cc1ccccc1)N=Nc1ccc(C#N)cc1- InChIKey
HGLKQTLPFOLZJL-UHFFFAOYSA-N- Molecular formula
- C15H14N4
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.12184646
Names & identifiers
- Preferred name
- p-(3-Benzyl-3-methyl-1-triazeno)benzonitrile
- IUPAC
- 4-[[benzyl(methyl)amino]diazenyl]benzonitrile
- English name
- p-(3-Benzyl-3-methyl-1-triazeno)benzonitrile
- Molecular formula
- C15H14N4
- Molecular weight
- 250.3
Names & synonyms
65542-21-4p-(3-Benzyl-3-methyl-1-triazeno)benzonitrileBRN 1821485NSC220335BENZONITRILE, p-(3-BENZYL-3-METHYL-1-TRIAZENO)-4-(3-BENZYL-3-METHYLTRIAZ-1-EN-1-YL)BENZONITRILEDTXSID80877737NSC 220335NSC-2203354-[3-Methyl-3-(phenylmethyl)-1-triazen-1-yl]benzonitrileReaxys ID: 1821485Benzonitrile, 4-[3-methyl-3-(phenylmethyl)-1-triazen-1-yl]-
Database identifiers
- CAS
65542-21-4- PubChem CID
- 47671
- DTXSID
DTXSID80877737- Nikkaji
- J132.024F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
LogP3.82
Physicochemical properties
- Melting point
- 84 °C · 84 °C
- Boiling point
- 411.4 · 411.4±55.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- -0.78 · -0.78±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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