chempirical

4-Nitrodiphenylamine

C12H10N2O2CAS 836-30-6214.22 g/mol

Open in Covalent MOL file
ON+O−NH
NitroSecondary amine

Properties

Molecular formula
C12H10N2O2
Molar mass
214.22 g/mol
Exact mass
214.0742 Da
Melting point
133.5 °C
Boiling point
211 °C (at 30 Torr)
logP
3.34Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
836-30-6
SMILES
O=[N+]([O-])c1ccc(Nc2ccccc2)cc1
InChIKey
XXYMSQQCBUKFHE-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H

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

Names and synonyms

14 names · show all
  • Benzenamine, 4-nitro-N-phenyl-
  • Diphenylamine, 4-nitro-
  • 4-Nitro-N-phenylbenzenamine
  • p-Nitrodiphenylamine
  • N-(p-Nitrophenyl)aniline
  • N-Phenyl-4-nitroaniline
  • (4-Nitrophenyl)phenylamine
  • 4-Nitro-N-phenylaniline
  • N-(4-Nitrophenyl)aniline
  • NSC 33836
  • N-Phenyl-p-nitroaniline
  • N-Phenyl-4-nitrobenzenamine
  • Phenyl(4-nitrophenyl)amine
  • N-(4-Nitrophenyl)benzenamine

Work with 4-Nitrodiphenylamine

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

2,4′-Dinitrodiphenylamine612-36-267 % similar Nitrobenzene98-95-365 % similar 2,4-Dinitrodiphenylamine961-68-263 % similar 4-Nitro-1,1′-biphenyl92-93-362 % similar (4-Nitrophenyl)hydrazine100-16-360 % similar 1,4-Dinitrobenzene100-25-460 % similar N-(4-Nitrophenyl)benzamide3393-96-258 % similar N-Methyl-4-nitroaniline100-15-258 % similar

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

Same formula

4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-9 4-(4-Nitrobenzyl)pyridine1083-48-3 2-Nitrodiphenylamine119-75-5 2,2′-Dihydroxyazobenzene2050-14-8

Elsewhere

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