N1-Methyl-4-nitro-O-phenyldiamin

C₇H₉N₃O₂CAS 41939-61-1167.17 g/mol

Open in Covalent MOL file

Nitro Primary amine Secondary amine

Properties

Molecular formula: C₇H₉N₃O₂
Molar mass: 167.17 g/mol
Exact mass: 167.0695 Da
logP: 1.22Crippen estimate
Polar surface area: 81.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

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

41939-61-1

SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])N

InChIKey

MNIKERWISBANET-UHFFFAOYSA-N

InChI

InChI=1S/C7H9N3O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,8H2,1H3

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Names and synonyms

1 names

1-N-Methyl-4-nitrobenzene-1,2-diamine

Work with N1-Methyl-4-nitro-O-phenyldiamin

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-Nitro-1,2-phenylenediamine99-56-962 % similar HC Yellow 556932-44-660 % similar 2-Methyl-5-nitroaniline99-55-859 % similar 2-Fluoro-N-methyl-5-nitroaniline110729-51-659 % similar 2-Methoxy-5-nitroaniline99-59-256 % similar 2-Bromo-5-nitroaniline10403-47-155 % similar 2-Fluoro-5-nitrobenzenamine369-36-855 % similar 2-Chloro-5-nitroaniline6283-25-655 % similar

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

Same formula

5-Aminopyrazine-2-carboxylic acid ethyl ester54013-06-8 3-Amino-4-hydroxybenzoic acid hydrazide7450-57-9

Elsewhere

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