3-Methyl-N-(4-nitrophenyl)benzenamine

HCID 27593

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 15979-82-5
Standard SMILES: Cc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1
InChIKey: LMPVRWVQOMNVKC-UHFFFAOYSA-N
Molecular formula: C13H12N2O2
Average molar mass: 228.25 g/mol
Monoisotopic mass: 228.08987763

Names & identifiers

Preferred name: 3-Methyl-N-(4-nitrophenyl)benzenamine
IUPAC: 3-methyl-N-(4-nitrophenyl)aniline

Names & synonyms

3-methyl-N-(4-nitrophenyl)aniline3-METHYL-N-(4-NITROPHENYL)BENZENAMINE15979-82-5N-(3-METHYLPHENYL)-4-NITROANILINESCHEMBL7128152(4-Nitro-phenyl)-m-tolyl-amineDTXSID10166727LMPVRWVQOMNVKC-UHFFFAOYSA-NAKOS000286150

Database identifiers

CAS: 15979-82-5
PubChem CID: 27593
DTXSID: DTXSID10166727
Nikkaji: J1.557.033D

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 57.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 257

Related reactions

2 records

New reaction record

HRID 1113627As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2297807As productuspto-grants-2002_12

Compound notes

Loading…