chempirical

Nitro-P-phenylenediamine

C6H7N3O2CAS 5307-14-2153.14 g/mol

Open in Covalent MOL file
H2NNH2N+OO−
NitroPrimary amine

Properties

Molecular formula
C6H7N3O2
Molar mass
153.14 g/mol
Exact mass
153.0538 Da
Melting point
137 °C
logP
0.76Crippen estimate
Polar surface area
95.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
5307-14-2
SMILES
Nc1ccc(N)c([N+](=O)[O-])c1
InChIKey
HVHNMNGARPCGGD-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2

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

Names and synonyms

24 names · show all
  • 1,4-Benzenediamine, 2-nitro-
  • p-Phenylenediamine, 2-nitro-
  • 2-Nitro-1,4-benzenediamine
  • C.I. 76070
  • C.I. Oxidation base 22
  • Durafur brown 2R
  • Fouramine 2R
  • Fourrine 36
  • Fourrine brown 2R
  • o-Nitro-p-phenylenediamine
  • Ursol brown RR
  • Zoba brown RR
  • 2-Nitro-p-phenylenediamine
  • 1,4-Diamino-2-nitrobenzene
  • 2,5-Diaminonitrobenzene
  • 2-Nitro-4-aminoaniline
  • 2-Nitro-1,4-diaminobenzene
  • 4-Amino-2-nitroaniline
  • NPD
  • 2-Nitro-1,4-phenylenediamine
  • p-Phenylenediamine, nitro-
  • 1,4-Benzenediamine, nitro-
  • NSC 5377
  • 1,4-Diamino-3-nitrobenzene

Work with Nitro-P-phenylenediamine

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

Nitro-1,4-benzenediamine sulfate (1:1)68239-83-876 % similar 4-Nitro-M-phenylenediamine5131-58-873 % similar 3,4-Dinitroaniline610-41-372 % similar 2,4-Dinitroaniline97-02-968 % similar 4-Fluoro-2-nitroaniline364-78-366 % similar 4-Methyl-3-nitroaniline119-32-464 % similar 4-Amino-2-nitrophenol119-34-664 % similar 4-Iodo-2-nitrobenzenamine20691-72-964 % similar

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

Same formula

(4-Nitrophenyl)hydrazine100-16-3 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-9 6-Hydrazinonicotinic acid133081-24-0 5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-2 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-6 6-Methyl-5-nitro-2-pyridinamine22280-62-2 (2-Nitrophenyl)hydrazine3034-19-3 3-Nitro-1,2-phenylenediamine3694-52-8

Elsewhere

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