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Substance Name: N-Phenylethanolamine
RN: 122-98-5
UNII: 630DL2N96B
InChIKey: MWGATWIBSKHFMR-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H11-N-O

Molecular Weight

  • 137.181
 
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Names and Synonyms

Name of Substance

  • N-Phenylethanolamine

Synonyms

  • (beta-Hydroxyethyl)aniline
  • 2-(Phenylamino)ethanol
  • 2-Anilinoethanol
  • 4-12-00-00277 (Beilstein Handbook Reference)
  • AI3-02009
  • Aniline, N-(2-hydroxyethyl)-
  • Aniline, N-(beta-hydroxyethyl)-
  • Benzenamine, N-(2-hydroxyethyl)-
  • beta-Anilinoethanol
  • BRN 0774672
  • EC 204-588-1
  • EINECS 204-588-1
  • Emery 5700
  • Ethanol, 2-(phenylamino)-
  • N-(2-Hydroxyethyl)aniline
  • N-(2-Hydroxyethyl)phenylamine
  • N-(beta-Hydroxyethyl)aniline
  • N-Phenylethanolamine
  • NSC 8393
  • Phenyl ethanolamine
  • Phenylethanolamine
  • UNII-630DL2N96B

Systematic Names

  • 2-Anilinoethanol
  • Ethanol, 2-(phenylamino)-
  • Ethanol, 2-anilino-

Superlist Names

  • Ethanol, 2-(phenylamino)-
  • N-Phenylethanolamine

Registry Numbers

CAS Registry Number

  • 122-98-5

FDA UNII

  • 630DL2N96B

System Generated Number

  • 0000122985

Structure Descriptors

InChI

1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

InChIKey

MWGATWIBSKHFMR-UHFFFAOYSA-N

Smiles

c1(ccccc1)NCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 165mg/kg (165mg/kg) VASCULAR: CONTRACTION (ISOLATED TISSUES) JAMA, Journal of the American Medical Association. Vol. 123, Pg. 761, 1943.
dog LDLo subcutaneous 220mg/kg (220mg/kg) VASCULAR: CONTRACTION (ISOLATED TISSUES) JAMA, Journal of the American Medical Association. Vol. 123, Pg. 761, 1943.
mouse LD50 intraperitoneal 137mg/kg (137mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
mouse LDLo subcutaneous 1100mg/kg (1100mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 111, 1948.
rabbit LD50 skin 63uL/kg (0.063mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rabbit LDLo intravenous 44mg/kg (44mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: ATAXIA
JAMA, Journal of the American Medical Association. Vol. 123, Pg. 761, 1943.
rat LD50 oral 2230mg/kg (2230mg/kg)   Union Carbide Data Sheet. Vol. 8/21/1961,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 11 deg C   EXP
Boiling Point 279.5 deg C   EXP
pKa Dissociation Constant 4.06 (none)   EXP
log P (octanol-water) 0.82 (none)   EXP
Water Solubility 4.60E+04 mg/L 25 EXP
Henry's Law Constant 2.03E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.75E-11 cm3/molecule-sec 25 EST

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