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Substance Name: p-Aminodiphenylamine
RN: 101-54-2
UNII: 007X4XXS71
InChIKey: ATGUVEKSASEFFO-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C12-H12-N2

Molecular Weight

  • 184.241
 
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Names and Synonyms

Name of Substance

  • 1,4-Benzenediamine, N-phenyl-
  • 4-Aminodiphenylamine
  • CI 76085
  • N-Phenyl-1,4-benzenediamine
  • N-Phenyl-p-phenylenediamine
  • p-Aminodiphenylamine

Synonyms

  • 1,4-Benzenediamine, N-phenyl-
  • 4-Aminodiphenylamine
  • Acna Black DF Base
  • AI3-15983
  • Azosalt R
  • Black Base P
  • C.I. 37240
  • C.I. 76085
  • C.I. Azoic Diazo Component 22
  • C.I. Developer 15
  • C.I. Oxidation Base 2
  • CCRIS 513
  • CI 37240
  • CI 76085
  • CI Azoic Diazo Component 22
  • CI Developer 15
  • CI Oxidation Base 2
  • Diphenyl Black
  • Diphenylamine, 4-amino-
  • Diphenylamine, p-amino-
  • EC 202-951-9
  • EINECS 202-951-9
  • Fast Blue R Salt
  • HSDB 2178
  • Luxan Black R
  • N, 4'-Bianiline
  • N-4'-Bianiline
  • N-Fenyl-p-fenylendiamin
  • N-Fenyl-p-fenylendiamin [Czech]
  • N-Phenyl-1,4-benzenediamine
  • N-Phenyl-1,4-phenylenediamine
  • N-Phenyl-p-aminoaniline
  • N-Phenyl-p-phenylenediamine
  • Naphthoelan Navy Blue
  • NCI-C02233
  • NSC 3401
  • Oxy Acid Black Base
  • p-(Phenylamino)aniline
  • p-Aminodifenylamin
  • p-Aminodifenylamin [Czech]
  • p-Aminodiphenylamine
  • p-Anilinoaniline
  • p-Phenylenediamine, N-phenyl-
  • p-Semidine
  • Peltol BR
  • Peltol BR II
  • Rodol Gray B base
  • Semidin
  • Semidine
  • UNII-007X4XXS71
  • Variamine Blue RT
  • Variamine Blue Salt RT

Systematic Names

  • 1,4-Benzenediamine, N-phenyl-
  • 1,4-Benzenediamine, N1-phenyl-
  • N-(4-Aminophenyl)aniline
  • N-Phenyl-p-phenylenediamine
  • p-Phenylenediamine, N-phenyl-

Superlist Names

  • 1,4-Benzenediamine, N-phenyl-
  • N-Phenyl-p-phenylenediamine
  • p-Aminodiphenylamine
  • p-Phenylenediamine, N-phenyl-

Registry Numbers

CAS Registry Number

  • 101-54-2

FDA UNII

  • 007X4XXS71

Other Registry Numbers

  • 12227-74-6
  • 76600-63-0

Related Registry Numbers

  • 2198-59-6 (mono-hydrochloride)
  • 4698-29-7 (sulfate [2:1])

System Generated Number

  • 0000101542

Structure Descriptors

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

Smiles

c1(Nc2ccccc2)ccc(N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 100mg/kg (100mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of the American College of Toxicology. Vol. 13, Pg. 374, 1994.
mouse LD50 oral 244mg/kg (244mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 8, Pg. 126, 1966.
mouse LD50 oral 244mg/kg (244mg/kg) BLOOD: HEMORRHAGE Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 8, Pg. 126, 1966.
rabbit LD50 oral > 5gm/kg (5000mg/kg)   Journal of the American College of Toxicology. Vol. 13, Pg. 374, 1994.
rabbit LD50 skin > 5gm/kg (5000mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: FOOD INTAKE (ANIMAL)

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 63, 1990.
rat LD50 oral 464mg/kg (464mg/kg)   Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66 deg C   EXP
Boiling Point 354 deg C   EXP
pKa Dissociation Constant 5.2 (none) 25 EXP
log P (octanol-water) 1.820 (none)   EST
Water Solubility 1450 mg/L 25 EST
Henry's Law Constant 3.71E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.