chempirical

Hc red 1

C12H11N3O2CAS 2784-89-6229.24 g/mol

Open in Covalent MOL file
H2NNHN+OO−
NitroPrimary amineSecondary amine

Properties

Molecular formula
C12H11N3O2
Molar mass
229.24 g/mol
Exact mass
229.0851 Da
Melting point
228–231 °C
logP
2.92Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
2784-89-6
SMILES
Nc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIKey
WHJNKCNHEVCICH-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N3O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Benzenediamine, 2-nitro-N1-phenyl-
  • p-Phenylenediamine, 2-nitro-N1-phenyl-
  • 2-Nitro-N1-phenyl-1,4-benzenediamine
  • 2-Nitro-4-amino-N-phenylaniline
  • 1-Anilino-4-amino-2-nitrobenzene
  • 4-Amino-2-nitrodiphenylamine
  • HC red no. 1
  • 2-Nitro-1-N-phenylbenzene-1,4-diamine

Work with Hc red 1

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-Dinitrodiphenylamine961-68-269 % similar 2-Nitrodiphenylamine119-75-565 % similar Hc red 32871-01-459 % similar 3,4-Dinitroaniline610-41-357 % similar 5-Chloro-2-nitro-N-phenylbenzenamine25781-92-455 % similar 2,4-Diaminodiphenylamine136-17-454 % similar Nitro-P-phenylenediamine5307-14-254 % similar 2,4′-Dinitrodiphenylamine612-36-252 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook