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Substance Name: N-Acetyl-2-phenylethylamine
RN: 877-95-2
UNII: 2JXY218SZI
InChIKey: MODKMHXGCGKTLE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-N-O

Molecular Weight

  • 163.219
 
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Names and Synonyms

Name of Substance

  • N-Acetyl-2-phenylethylamine

Synonyms

  • 4-12-00-02463 (Beilstein Handbook Reference)
  • BRN 2208721
  • EINECS 212-897-8
  • N-(2-Phenylethyl)acetamide
  • N-Acetylphenethylamine
  • N-beta-Phenylethylacetamide
  • N-Phenethylacetamide
  • NSC 7177
  • UNII-2JXY218SZI

Systematic Names

  • Acetamide, N-(2-phenylethyl)-
  • Acetamide, N-phenethyl- (6CI,7CI,8CI)
  • N-(2-Phenylethyl)acetamide

Registry Numbers

CAS Registry Number

  • 877-95-2

FDA UNII

  • 2JXY218SZI

System Generated Number

  • 0000877952

Structure Descriptors

InChI

1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)

InChIKey

MODKMHXGCGKTLE-UHFFFAOYSA-N

Smiles

CC(=O)NCCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 326mg/kg (326mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.19 (none)   EXP
Water Solubility 6370 mg/L 25 EST
Vapor Pressure 7.84E-05 mm Hg 25 EST
Henry's Law Constant 2.63E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-11 cm3/molecule-sec 25 EST

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