CAS 539-17-3|C.I. disperse black 3|4-[(E)-2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline|N,N-Dimethyl-4,4'-azodianiline|N,N-二甲基-4,4-偶氮二苯胺|4-氨基-4′-二甲氨基偶氮苯|N,N-Dimethyl-4,4′-azod...

General Information

Structure

Molecular Formula

C₁₄H₁₆N₄

Molecular Mass

240.30364

Exact Mass

240.13749653

Charge

InChI

InChI=1S/C14H16N4/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,15H2,1-2H3/b17-16+

InChIKey

BVRIUXYMUSKBHG-WUKNDPDISA-N

Canonic Smiles

Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C

Isomeric Smiles

CN(C)c1ccc(cc1)/N=N/c1ccc(cc1)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6514132

LogD (pH = 7.4)

3.6581707

Log P

3.6582575

Molar Refractivity

79.506

Polarizability

27.531908

Polar Surface Area

53.98

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

C.I. disperse black 3 4-[2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline

IUPAC name

4-[(E)-2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline 4-[2-(4-aminophenyl)diazen-1-yl]-N,N-dimethylaniline

Synonyms

N,N-Dimethyl-4,4'-azodianilineN,N-二甲基-4,4-偶氮二苯胺4-氨基-4′-二甲氨基偶氮苯N,N-Dimethyl-4,4′-azodianiline4-(4-Dimethylaminophenylazo)anilinep,p′-DMPA-苯胺p,p′-DMPA-aniline4-Amino-4′-dimethylaminoazobenzeneN,N-二甲基-4,4-偶氮二苯胺Disperse Black 3p,p′-Dimapa-aniline4-Amino-4′-(dimethylamino)azobenzeneN,N-Dimethyl-4,4′-azodianiline4-(4-Dimethylaminophenylazo)aniline

Names and Identifiers

Registration numbers

EC Number

208-712-5

PubChem SID

2486323524846109160971747

CAS Number

539-17-3

Beilstein Number

748253

MDL Number

MFCD00010204