2,4-Dimethyl-5-nitroaniline

C₈H₁₀N₂O₂CAS 2124-47-2166.18 g/mol

Open in Covalent MOL file

Nitro Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 6-Chloro-4-nitro-o-toluidine13852-51-268 % 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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