4-Amino-N,N-dimethyl-3-nitroaniline

C₈H₁₁N₃O₂CAS 16293-12-2181.19 g/mol

Open in Covalent MOL file

Nitro Primary amine Tertiary amine

Properties

Molecular formula: C₈H₁₁N₃O₂
Molar mass: 181.19 g/mol
Exact mass: 181.0851 Da
logP: 1.24Crippen estimate
Polar surface area: 72.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

16293-12-2

SMILES

CN(C)C1=CC(=C(C=C1)N)[N+](=O)[O-]

InChIKey

COWGRITUYIECBW-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N3O2/c1-10(2)6-3-4-7(9)8(5-6)11(12)13/h3-5H,9H2,1-2H3

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Names and synonyms

1 names

4-Amino-3-nitro-N,N-dimethylaniline

Work with 4-Amino-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methyl-2-nitroaniline89-62-361 % similar 4-Chloro-2-nitroaniline89-63-461 % similar Nitro-p-phenylenediamine5307-14-260 % similar 2,4-Dinitroaniline97-02-960 % similar 4-Fluoro-2-nitroaniline364-78-358 % similar 4-Methoxy-2-nitroaniline96-96-858 % similar HC Red 1394158-13-157 % similar 4-Iodo-2-nitrobenzenamine20691-72-957 % similar

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

Elsewhere

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