chempirical

2-Methyl-3-nitroaniline

C7H8N2O2CAS 603-83-8152.15 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
92 °C
Boiling point
305 °C
logP
1.49Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
603-83-8
SMILES
Cc1c(N)cccc1[N+](=O)[O-]
InChIKey
HFCFJYRLBAANKN-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(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

11 names
  • Benzenamine, 2-methyl-3-nitro-
  • o-Toluidine, 3-nitro-
  • 2-Methyl-3-nitrobenzenamine
  • 2-Amino-6-nitrotoluene
  • 3-Nitro-o-toluidine
  • 6-Nitro-2-aminotoluene
  • 6-Amino-2-nitrotoluene
  • 1-Amino-2-methyl-3-nitrobenzene
  • NSC 227939
  • NSC 25011
  • 2-Methyl-3-nitro-phenylamine

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dinitrotoluene606-20-275 % similar 3-Nitro-O-xylene83-41-068 % similar 2-Nitroaniline88-74-467 % similar 3-Nitro-1,2-phenylenediamine3694-52-866 % similar 2-Bromo-6-nitrotoluene55289-35-564 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-164 % similar 1-Methoxy-2-methyl-3-nitrobenzene4837-88-163 % similar 2-Methyl-3-nitrophenol5460-31-162 % similar

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

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 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

Elsewhere

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