chempirical

N,N-Dimethyl-3-nitroaniline

C8H10N2O2CAS 619-31-8166.18 g/mol

Open in Covalent MOL file
NN+OO−
NitroTertiary amine

Properties

Molecular formula
C8H10N2O2
Molar mass
166.18 g/mol
Exact mass
166.0742 Da
Melting point
60.5 °C
Boiling point
282.5 °C
logP
1.66Crippen estimate
Polar surface area
46.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
619-31-8
SMILES
CN(C)c1cccc([N+](=O)[O-])c1
InChIKey
CJDICMLSLYHRPT-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3

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Names and synonyms

8 names
  • Benzenamine, N,N-dimethyl-3-nitro-
  • Aniline, N,N-dimethyl-m-nitro-
  • N,N-Dimethyl-3-nitrobenzenamine
  • m-Nitro-N,N-dimethylaniline
  • N,N-Dimethyl-m-nitroaniline
  • 1-(Dimethylamino)-3-nitrobenzene
  • 3-Nitro-N,N-dimethylaniline
  • NSC 9814

Reactions

Work with N,N-Dimethyl-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

1,3-Dinitrobenzene99-65-064 % similar 3-Nitrotoluene99-08-158 % similar 1-Fluoro-3-nitrobenzene402-67-555 % similar Bis(3-nitrophenyl) disulfide537-91-753 % similar 3-Nitrophenol554-84-753 % similar 1-Iodo-3-nitrobenzene645-00-153 % similar 3-Nitroaniline99-09-253 % similar 1-(Methylthio)-3-nitrobenzene2524-76-753 % similar

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

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 2,4-Dimethyl-6-nitroaniline1635-84-3 3-Amino-4-methoxybenzamide17481-27-5 2-Ethyl-5-nitrobenzenamine20191-74-6 Hydroxy(phenyl)acetic acid hydrazide2443-66-5

Elsewhere

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