Basic information
- CAS
65542-22-5- Standard SMILES
CN(Cc1ccc(Cl)cc1)N=Nc1ccc(C#N)cc1- InChIKey
YMHHKKQNHGYVIT-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0828741
Names & identifiers
- Preferred name
- p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzonitrile
- IUPAC
- 4-[[(4-chlorophenyl)methyl-methylamino]diazenyl]benzonitrile
- English name
- p-[3-(p-Chlorobenzyl)-3-methyl-1-triazeno]benzonitrile
- Molecular formula
- C15H13ClN4
- Molecular weight
- 284.74
Names & synonyms
65542-22-5p-(3-(p-Chlorobenzyl)-3-methyl-1-triazeno)benzonitrileBRN 1823935NSC220337BENZONITRILE, p-(3-(p-CHLOROBENZYL)-3-METHYL-1-TRIAZENO)-DTXSID501384442NSC 220337NSC-220337p-[3-(p-Chlorobenzyl)-3-methyl-1-triazeno]benzonitrileBenzonitrile, 4-[3-[(4-chlorophenyl)methyl]-3-methyl-1-triazen-1-yl]-
Database identifiers
- CAS
65542-22-5- PubChem CID
- 47672
- DTXSID
DTXSID501384442- Nikkaji
- J132.025D
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 58 °C · 58 °C
- Boiling point
- 437.3 · 437.3±55.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- -1.16 · -1.16±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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