chempirical

2-Methoxy-5-nitroaniline

C7H8N2O3CAS 99-59-2168.15 g/mol

Open in Covalent MOL file
ON+OO−H2N
EtherNitroPrimary amine

Properties

Molecular formula
C7H8N2O3
Molar mass
168.15 g/mol
Exact mass
168.0535 Da
Density
1.2068 g/mL (at 156 °C)
Melting point
118 °C
Boiling point
153–156 °C (at 1.45 Torr)
logP
1.19Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
99-59-2
SMILES
COc1ccc([N+](=O)[O-])cc1N
InChIKey
NIPDVSLAMPAWTP-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3

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Names and synonyms

15 names · show all
  • Benzenamine, 2-methoxy-5-nitro-
  • o-Anisidine, 5-nitro-
  • 2-Methoxy-5-nitrobenzenamine
  • 1-Amino-2-methoxy-5-nitrobenzene
  • 5-Nitro-2-methoxyaniline
  • 2-Amino-4-nitroanisole
  • 5-Nitro-o-anisidine
  • 3-Nitro-6-methoxyaniline
  • Azoamine scarlet K
  • 2-Amino-1-methoxy-4-nitrobenzene
  • 1-Methoxy-2-amino-4-nitrobenzene
  • 4-Nitro-2-aminoanisole
  • NSC 5510
  • (2-Methoxy-5-nitrophenyl)amine
  • 2-(Methyloxy)-5-nitroaniline

Work with 2-Methoxy-5-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

2-Methoxy-5-nitroaniline hydrochloride67827-72-991 % similar 2-Methoxy-4-nitroaniline97-52-976 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-173 % similar 5-Nitroguaiacol636-93-169 % similar 2,4-Dinitroanisole119-27-769 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-967 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-665 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-065 % similar

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

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5 2-Ethoxy-5-nitropyridine31594-45-3

Elsewhere

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