chempirical

2-Nitrodiphenylamine

C12H10N2O2CAS 119-75-5214.22 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
Density
1.37 g/mL
Melting point
75 °C
Boiling point
165–167 °C (at 1 Torr)
logP
3.34Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
119-75-5
SMILES
O=[N+]([O-])c1ccccc1Nc1ccccc1
InChIKey
RUKISNQKOIKZGT-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H

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Names and synonyms

16 names · show all
  • Benzenamine, 2-nitro-N-phenyl-
  • Diphenylamine, 2-nitro-
  • 2-Nitro-N-phenylbenzenamine
  • C.I. 10335
  • o-Nitrodiphenylamine
  • Sudan yellow 1339
  • o-Nitro-N-phenylaniline
  • N-Phenyl-o-nitroaniline
  • o-(Phenylamino)nitrobenzene
  • NSC 105613
  • NSC 4754
  • NSC 629274
  • N-Phenyl-2-nitrobenzenamine
  • 2-Nitro-N-phenylaniline
  • N-Phenyl-2-nitroaniline
  • N-(2-Nitrophenyl)aniline

Work with 2-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′-Dinitrodiphenylamine612-36-278 % similar N-(4-Chlorophenyl)-2-nitrobenzenamine23008-56-274 % similar Hc orange 154381-08-774 % similar 2,4-Dinitrodiphenylamine961-68-269 % similar 5-Chloro-2-nitro-N-phenylbenzenamine25781-92-465 % similar Hc red 12784-89-665 % similar (2-Nitrophenyl)hydrazine3034-19-363 % similar N-Methyl-2-nitrobenzenamine612-28-261 % 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 2,2′-Dihydroxyazobenzene2050-14-8 4,4'-Dihydroxyazobenzene2050-16-0 4-Nitrodiphenylamine836-30-6

Elsewhere

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