N,N'-Diacetyl-3,3'-dimethylbenzidine

HCID 626583
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
3546-11-0
Standard SMILES
CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c(C)c2)cc1C
InChIKey
YYWOGMJTPSCQAN-UHFFFAOYSA-N
Molecular formula
C18H20N2O2
Average molar mass
296.4 g/mol
Monoisotopic mass
296.15247789

Names & identifiers

Preferred name
N,N'-Diacetyl-3,3'-dimethylbenzidine
IUPAC
N-[4-(4-acetamido-3-methylphenyl)-2-methylphenyl]acetamide
English name
3,3'-dimethyl-N,N'-diacetylbenzidine
Molecular formula
C18H20N2O2
Molecular weight
296.36

Names & synonyms

N,N'-Diacetyl-3,3'-dimethylbenzidine3,3'-dimethyl-4,4'-diacetylaminobiphenylCambridge id 5648655Oprea1_143772Oprea1_708841R5V9S23T8YSCHEMBL7211300DTXSID5036846N-(4'-Acetylamino-3,3'-dimethyl-biphenyl-4-yl)-acetamideAcetamide,N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis- (9CI)AKOS0038900083,3'-Dimethyl-4,4'-diacetamidobiphenyl
Show more names
3,3'-dimethyl-N,N'-diacetylbenzidine3',3'''-Dimethyl-4',4'''-biacetanilide
ST50000336N,N'-(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)diacetamideAcetamide, N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis-N,N'-(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[acetamide]N-{4-[4-(acetylamino)-3-methylphenyl]-2-methylphenyl}acetamideN-[4'-(Acetylamino)-3,3'-dimethyl[1,1'-biphenyl]-4-yl]acetamide #

Database identifiers

CAS
3546-11-0
PubChem CID
626583
DTXSID
DTXSID5036846
UNII
R5V9S23T8Y
Nikkaji
J785.781K

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
22

Physicochemical properties

Melting point
312 °C · 312 °C
Boiling point
437.96 °C · 437.96°C (rough estimate)
Density
1.1499 · 1.1499 (rough estimate)
refractive index
1.57 · 1.5700 (estimate)
pka
14.58 · 14.58±0.70(Predicted)

Chemistry & industry

Suppliers2 total

吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…