chempirical

Diphenylcarbazone

C13H12N4OCAS 538-62-5240.27 g/mol

Open in Covalent MOL file
ONNNHHN
AzoHydrazoneSecondary amine

Properties

Molecular formula
C13H12N4O
Molar mass
240.27 g/mol
Exact mass
240.1011 Da
Melting point
157 °C (decomposes)
logP
3.71Crippen estimate
Polar surface area
69.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
538-62-5
SMILES
OC(N=Nc1ccccc1)=NNc1ccccc1
InChIKey
ZFWAHZCOKGWUIT-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Diazenecarboxylic acid, 2-phenyl-, 2-phenylhydrazide
  • Formic acid, (phenylazo)-, 2-phenylhydrazide
  • Diazenecarboxylic acid, phenyl-, 2-phenylhydrazide
  • s-Diphenylcarbazone
  • Hydrazinecarboxamide, 2-phenyl-N-(phenylimino)-
  • 1,5-Diphenylcarbazone
  • Diazenecarbohydrazonic acid, N,2-diphenyl-
  • 3-Hydroxy-1,5-diphenylformazan
  • 1-Anilino-3-phenyliminourea

Work with Diphenylcarbazone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Triphenylformazan531-52-260 % similar Dithizone60-10-660 % similar Acetylphenylhydrazine114-83-049 % similar Diphenylcarbazide140-22-746 % similar 1,3-Diphenylurea102-07-842 % similar 4-(Phenylazo)diphenylamine101-75-741 % similar N,N′,N′′-Triphenylguanidine101-01-940 % similar 2,2′-Diphenylcarbonothioic dihydrazide622-03-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook