chempirical

5-Methyl-2-nitroaniline

C7H8N2O2CAS 578-46-1152.15 g/mol

Open in Covalent MOL file
N+OO−NH2
NitroPrimary amine

Properties

Molecular formula
C7H8N2O2
Molar mass
152.15 g/mol
Exact mass
152.0586 Da
Melting point
133 °C
logP
1.49Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
578-46-1
SMILES
Cc1ccc([N+](=O)[O-])c(N)c1
InChIKey
IGDYNWKWXUCIJB-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/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, 5-methyl-2-nitro-
  • m-Toluidine, 6-nitro-
  • 5-Methyl-2-nitrobenzenamine
  • 4-Nitro-3-aminotoluene
  • 5-Methyl-o-nitroaniline
  • 3-Amino-4-nitrotoluene
  • 1-Amino-3-methyl-6-nitrobenzene
  • 6-Nitro-m-toluidine
  • 2-Nitro-5-methylaniline
  • 3-Methyl-6-nitroaniline
  • NSC 28586
  • NSC 404025
  • (5-Methyl-2-nitrophenyl)amine

Work with 5-Methyl-2-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

4-Methyl-2-nitroaniline89-62-375 % similar 3,4-Dinitrotoluene610-39-968 % similar 4-Nitro-M-phenylenediamine5131-58-864 % similar 4-Nitro-M-xylene89-87-264 % similar 5-Methoxy-2-nitrobenzenamine16133-49-663 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-762 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-261 % similar 5-Chloro-2-nitroaniline1635-61-660 % 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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