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Substance Name: alpha-Methylbenzylamine
RN: 618-36-0
UNII: HZ9DM6B2MT
InChIKey: RQEUFEKYXDPUSK-UHFFFAOYSA-N

Molecular Formula

  • C8-H11-N

Molecular Weight

  • 121.182
 
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Names and Synonyms

Name of Substance

  • 1-Phenethylamine
  • alpha-Methylbenzylamine

Synonyms

  • 1-Amino-1-phenylethane
  • 1-Fenylethylamin
  • 1-Fenylethylamin [Czech]
  • 1-Phenylethanamine
  • 1-Phenylethylamine
  • AI3-03116
  • alpha-Aminoethylbenzene
  • alpha-Methylbenzenemethanamine
  • alpha-Methylbenzylamine
  • alpha-Phenethylamine
  • alpha-Phenylethylamine
  • Benzene, (1-amino-ethyl)-
  • Benzenemethanamine, alpha-methyl-
  • Benzenemethaneamine, alpha-methyl-
  • Benzylamine, alpha-methyl-
  • EC 210-545-8
  • EINECS 202-706-6
  • EINECS 210-545-8
  • Ethanamine, 1-phenyl-
  • Ethylamine, 1-phenyl-
  • HSDB 2742
  • NSC 8391
  • Sumine 2079
  • UNII-HZ9DM6B2MT

Systematic Names

  • 1-Phenylethylamine
  • Benzenemethanamine, alpha-methyl-
  • Benzylamine, alpha-methyl-
  • DL-alpha-Methylbenzylamine

Superlist Name

  • alpha-Methylbenzylamine

Registry Numbers

CAS Registry Number

  • 618-36-0

FDA UNII

  • HZ9DM6B2MT

Other Registry Number

  • 98-84-0

System Generated Number

  • 0000618360

Structure Descriptors

InChI

1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3

InChIKey

RQEUFEKYXDPUSK-UHFFFAOYSA-N

Smiles

N[C@@H](c1ccccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 6, Pg. 263, 1972.
mouse LD50 oral 560mg/kg (560mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 6, Pg. 263, 1972.
rabbit LD50 skin 780uL/kg (0.78mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 940mg/kg (940mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32 deg C   EXP
Boiling Point 187 deg C   EXP
log P (octanol-water) 1.490 (none)   EST
Water Solubility 4.20E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 4.38E-11 cm3/molecule-sec 25 EST

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