Molecule ID: 4338370

IUPAC Name: 2-nitrobenzene-1,4-diamine

Description: The molecule is a primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application). It is a C-nitro compound and a primary amino compound. It derives from a 1,4-phenylenediamine.

SMILES: Nc1ccc(N)c([N+](=O)[O-])c1

SELFIES: [N][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]

InChI: InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2

Molecular Properties:
- Polar Surface Area: 97.9 Ų
- LogP: 0.5