chempirical

4-Methyl-3-nitroaniline

C7H8N2O2CAS 119-32-4152.15 g/mol

Open in Covalent MOL file
NH2N+OO−
NitroPrimary amine

Properties

Molecular formula
C7H8N2O2
Molar mass
152.15 g/mol
Exact mass
152.0586 Da
Melting point
45.5 °C
logP
1.49Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
119-32-4
SMILES
Cc1ccc(N)cc1[N+](=O)[O-]
InChIKey
GDIIPKWHAQGCJF-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzenamine, 4-methyl-3-nitro-
  • p-Toluidine, 3-nitro-
  • 4-Methyl-3-nitrobenzenamine
  • 3-Nitro-4-methylaniline
  • 2-Nitro-4-aminotoluene
  • 3-Nitro-p-toluidine
  • 4-Amino-2-nitrotoluene
  • m-Nitro-p-toluidine
  • 5-Nitro-4-toluidine
  • 3-Nitro-4-toluidine
  • 1-Amino-3-nitro-4-methylbenzene
  • NSC 7731
  • 4-Methyl-3-nitrophenylamine

Work with 4-Methyl-3-nitroaniline

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

3-Methyl-4-nitroaniline611-05-281 % similar 3,4-Dinitroaniline610-41-368 % similar 2,4-Dinitrotoluene121-14-264 % similar Nitro-P-phenylenediamine5307-14-264 % similar 1,4-Dimethyl-2-nitrobenzene89-58-764 % similar 4-Iodo-2-nitrotoluene41252-97-562 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-662 % similar 4-Amino-2,6-dinitrotoluene19406-51-061 % similar

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

Same formula

N-Methyl-4-nitroaniline100-15-2 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-8 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 N-(Hydroxymethyl)nicotinamide3569-99-1 Methyl 3-amino-2-pyridinecarboxylate36052-27-4 3-Hydrazinobenzoic acid38235-71-1 Ethyl 2,3-dicyanopropionate40497-11-8

Elsewhere

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