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Substance Name: N-Phenyl diethanolamine
RN: 120-07-0
UNII: VE25V5K077
InChIKey: OJPDDQSCZGTACX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H15-N-O2

Molecular Weight

  • 181.234
 
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Names and Synonyms

Name of Substance

  • N-Phenyl diethanolamine

Synonyms

  • (Bis(2-hydroxyethyl)amino)benzene
  • 2,2'-(Phenylamino)diethanol
  • 2,2'-(Phenylimino)diethanol
  • 4-12-00-00285 (Beilstein Handbook Reference)
  • AI3-01739
  • BRN 2096832
  • Diethanolaminobenzene
  • Diethanolaniline
  • Diethanolphenylamine
  • Dihydroxyethylaniline
  • EINECS 204-368-5
  • Emery 5703
  • N,N-Bis(2-hydroxyethyl)aniline
  • N,N-Bis(beta-hydroxyethyl)aniline
  • N,N-Di(2-hydroxyethyl)aniline
  • N,N-Di(beta-hydroxyethyl)aniline
  • N,N-Diethanolaniline
  • N,N-Dioxyethylaniline
  • N-Phenyl-N,N-diethanolamine
  • N-Phenyldiethanolamine
  • NSC 6327
  • Phenyl diethanolamine
  • Phenylbis(2-hydroxyethyl)amine
  • Phenyldiethanolamine
  • UNII-VE25V5K077

Systematic Names

  • 2,2'-Phenyliminodiethanol
  • Ethanol, 2,2'-(phenylimino)bis-
  • Ethanol, 2,2'-(phenylimino)di-

Superlist Name

  • N-Phenyl diethanolamine

Registry Numbers

CAS Registry Number

  • 120-07-0

FDA UNII

  • VE25V5K077

System Generated Number

  • 0000120070

Structure Descriptors

InChI

1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2

InChIKey

OJPDDQSCZGTACX-UHFFFAOYSA-N

Smiles

c1(N(CCO)CCO)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 360mg/kg (360mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(4), Pg. 54, 1983.
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 6/13/1960,
rat LD50 oral 980mg/kg (980mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57 deg C   EXP
log P (octanol-water) 0.630 (none)   EST
Water Solubility 3.34E+04 mg/L 20 EXP
Vapor Pressure 2.02E-06 mm Hg 25 EST
Henry's Law Constant 2.02E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.76E-10 cm3/molecule-sec 25 EST

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