N-Methyl-2-nitrobenzenamine
Properties
- Molecular formula
- C7H8N2O2
- Molar mass
- 152.15 g/mol
- Exact mass
- 152.0586 Da
- Melting point
- 38 °C
- Boiling point
- 158 °C
- logP
- 1.64Crippen estimate
- Polar surface area
- 55.2 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H331 Toxic if inhaled100% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
- H411 Toxic to aquatic life with long lasting effects10.9% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
612-28-2SMILES
CNc1ccccc1[N+](=O)[O-]InChIKey
KFBOUJZFFJDYTA-UHFFFAOYSA-NInChI
InChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzenamine, N-methyl-2-nitro-
- Aniline, N-methyl-o-nitro-
- o-Nitro-N-methylaniline
- N-Methyl-o-nitroaniline
- o-(Methylamino)nitrobenzene
- N-Methyl-2-nitroaniline
- 2-Nitro-N-methylaniline
- 2-(Methylamino)nitrobenzene
- NSC 86672
- (Methyl)(2-nitrophenyl)amine
- 4-(N-Methylamino)-3-nitrobenzene
Work with N-Methyl-2-nitrobenzenamine
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-Nitrophenyl)hydrazine3034-19-365 % similar
2-Nitrodiphenylamine119-75-561 % similar
1,2-Dinitrobenzene528-29-059 % similar
o-Nitrophenylhydrazine hydrochloride6293-87-459 % similar
2,4′-Dinitrodiphenylamine612-36-256 % similar
HC Yellow 24926-55-054 % similar
2,2′-Dinitrobiphenyl2436-96-653 % similar
2-Nitrotoluene88-72-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
N-Methyl-4-nitroaniline100-15-2
4-Methyl-3-nitroaniline119-32-4
Methyl 2-aminopyridine-3-carboxylate14667-47-1
2,6-Dimethyl-3-nitropyridine15513-52-7
4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-8
Methyl 4-aminopyridine-3-carboxylate16135-36-7
6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4
1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1