chempirical

2,4-Dimethyl-5-nitroaniline

C8H10N2O2CAS 2124-47-2166.18 g/mol

Open in Covalent MOL file
H2NN+OO−
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
2124-47-2
SMILES
CC1=CC(=C(C=C1N)[N+](=O)[O-])C
InChIKey
DUIOVGPUAJSYCD-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,9H2,1-2H3

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Work with 2,4-Dimethyl-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

4,5-Dimethyl-2-nitrobenzenamine6972-71-068 % similar 5-Chloro-2-methyl-4-nitrobenzenamine13852-51-268 % similar 4-Methyl-3-nitroaniline119-32-464 % similar 1-Bromo-2,4-dimethyl-5-nitrobenzene69383-59-161 % similar 3-Methyl-4-nitroaniline611-05-259 % similar 4,5-Dimethoxy-2-nitrotoluene7509-11-759 % similar 2-Amino-5-nitrotoluene99-52-559 % similar 2-Methyl-5-nitroaniline99-55-859 % 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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