3,3'-dimethyl-N-acetylbenzidine

Substructure search Find similar structures

Basic information

CAS: 3546-13-2
Standard SMILES: CC(=O)Nc1ccc(-c2ccc(N)c(C)c2)cc1C
InChIKey: GHTBEGLKAXDXCH-UHFFFAOYSA-N
Molecular formula: C16H18N2O
Average molar mass: 254.33 g/mol
Monoisotopic mass: 254.1419132

Overview

urinary metabolite of ortho-toluidine

Names & identifiers

Preferred name: 3,3'-dimethyl-N-acetylbenzidine
IUPAC: N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]acetamide
English name: 3,3'-dimethyl-N-acetylbenzidine
Molecular formula: C16H18N2O
Molecular weight: 254.33

Names & synonyms

3,3'-Dimethyl-N-acetylbenzidine3546-13-2DTXSID00188973RefChem:90698DTXCID60111464N-Acetyl-3,3'-dimethylbenzidineN-(4'-amino-3,3'-dimethyl-[1,1'-biphenyl]-4-yl)acetamideBRN 3318375Acetamide, N-(4'-amino-3,3'-dimethyl(1,1'-biphenyl)-4-yl)-0-13-00-00258 (Beilstein Handbook Reference)SCHEMBL8927636ACETANILIDE, 4'-(4-AMINO-m-TOLYL)-2'-METHYL-

Show more names

N-(4'-amino-3,3'-dimethyl-biphenyl-4-yl)-acetamideAcetamide, N-(4'-amino-3,3'-dimethyl[1,1'-biphenyl]-4-yl)-

H90751N-(4'-Amino-3,3'-dimethyl[1,1'-biphenyl]-4-yl)acetamide

Database identifiers

CAS: 3546-13-2
PubChem CID: 19074
DTXSID: DTXSID00188973

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 318

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…