CAS 101-54-2|4-Aminodiphenylamine|N1-Phenylbenzene-1,4-diamine|4-(Phenylamino)aniline|1-N-phenylbenzene-1,4-diamine|N-phenyl-p-phenylenediamine|p-AMINODIPHENYLAMINE, TECH|N-Phenyl-p-phenylenediamine...

General Information

Structure

Molecular Formula

C₁₂H₁₂N₂

Molecular Mass

184.23708

Exact Mass

184.10004839

Charge

InChI

InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2

InChIKey

ATGUVEKSASEFFO-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)Nc1ccccc1

Isomeric Smiles

N(c1ccc(cc1)N)c1ccccc1

Calculated Properties

JChem

LogD (pH = 7.4)

2.58

LogD (pH = 5.5)

2.33

Log P

2.58

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

5.40

Polar Surface Area

38.05

Polarizability

20.80

Molar Refractivity

59.24

LOG S

-2.98

Data Source

Names and Identifiers

Synonyms

4-AminodiphenylamineN1-Phenylbenzene-1,4-diamine4-(Phenylamino)anilinep-AMINODIPHENYLAMINE, TECHN-Phenyl-p-phenylenediamineN1-Phenylbenzene-1,4-diamineVariamine Blue RT BaseN-苯基对苯二胺对氨基二苯胺4-氨基二苯胺4-aminodiphenylamineN-苯基-p-苯烯二胺N-Phenyl-p-phenylenediamineN, 4'-Bianilinep-aminodiphenylaminep-(Phenylamino)anilineN-4'-Bianilinep-Semidinep-AminodiphenylamineAzosalt Rp-AnilinoanilineN-Phenyl-1,4-benzenediamineLuxan Black R4-AminodiphenylamineN-Phenyl-1,4-phenylenediamineN-(4-Aminophenyl)anilineN-Phenyl-p-aminoaniline

IUPAC name

1-N-phenylbenzene-1,4-diamine N1-phenylbenzene-1,4-diamine

IUPAC Traditional name

N-phenyl-p-phenylenediamine

Names and Identifiers

Registration numbers

CAS Number

101-54-2

MDL Number

MFCD00007850

EC Number

202-951-9