chempirical

2,3-Dimethyl-6-nitroaniline

C8H10N2O2CAS 59146-96-2166.18 g/mol

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

Properties

Molecular formula
C8H10N2O2
Molar mass
166.18 g/mol
Exact mass
166.0742 Da
logP
1.79Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59146-96-2
SMILES
CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C
InChIKey
YEFYPFWBLCARLC-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3

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Work with 2,3-Dimethyl-6-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

3-Fluoro-2-methyl-6-nitroaniline485832-96-067 % similar 2-Methyl-6-nitroaniline570-24-163 % similar 3-Nitro-o-xylene83-41-059 % similar 2,6-Dinitroaniline606-22-455 % similar 4-Methyl-3-nitroaniline119-32-454 % similar 3-Methyl-4-nitroaniline611-05-254 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-854 % similar 2-Methyl-3-nitroaniline603-83-851 % 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 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

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