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Substance Name: 4-Ethylaniline
RN: 589-16-2
UNII: MHX72W1ZQV
InChIKey: HRXZRAXKKNUKRF-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C8-H11-N

Molecular Weight

  • 121.182
 
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Names and Synonyms

Name of Substance

  • 4-Ethylaniline

Synonyms

  • 1-Amino-4-ethylbenzene
  • 4-12-00-02419 (Beilstein Handbook Reference)
  • 4-Aminoethylbenzene
  • 4-Ethylaniline
  • 4-Ethylphenylamine
  • Aniline, 4-ethyl-
  • BRN 0774319
  • CCRIS 5060
  • EINECS 209-637-0
  • NSC 62015
  • p-Ethylaminobenzene
  • p-Ethylaniline
  • UNII-MHX72W1ZQV

Systematic Names

  • 4-Ethylaniline
  • Aniline, 4-ethyl-
  • Aniline, p-ethyl- (8CI)
  • Benzenamine, 4-ethyl-

Registry Numbers

CAS Registry Number

  • 589-16-2

FDA UNII

  • MHX72W1ZQV

System Generated Number

  • 0000589162

Structure Descriptors

InChI

1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3

InChIKey

HRXZRAXKKNUKRF-UHFFFAOYSA-N

Smiles

c1(ccc(N)cc1)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intraperitoneal 133mg/kg (133mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 900, 1974.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02908,
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.
quail LD50 oral 422mg/kg (422mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.80E+00 deg C   EXP
Boiling Point 217.5 deg C   EXP
pKa Dissociation Constant 5 (none) 25 EXP
log P (octanol-water) 1.96 (none)   EXP
Water Solubility 2110 mg/L 25 EST
Vapor Pressure 0.143 mm Hg 25 EXP
Henry's Law Constant 2.79E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-10 cm3/molecule-sec 25 EST

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