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Substance Name: Phenethylamine, alpha-butyl-
RN: 67309-36-8
InChIKey: UNVLUPRQPLQYGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N

Molecular Weight

  • 177.289
 
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Names and Synonyms

Synonyms

  • 1-Fenylo-3-propylo-aminopropan
  • 1-Fenylo-3-propylo-aminopropan [Polish]
  • 4-12-00-02869 (Beilstein Handbook Reference)
  • Benzeneethanamine, alpha-butyl-
  • BRN 2640052

Systematic Name

  • Phenethylamine, alpha-butyl-

Registry Numbers

CAS Registry Number

  • 67309-36-8

System Generated Number

  • 0067309368

Structure Descriptors

InChI

1S/C12H19N/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,13H2,1H3

InChIKey

UNVLUPRQPLQYGW-UHFFFAOYSA-N

Smiles

c1ccccc1C[C@@H](CCCC)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 70mg/kg (70mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: SLEEP
Archiwum Immunologii i Terapii Doswiadczalnej. Vol. 7, Pg. 77, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.36 (none)   EXP
Water Solubility 781 mg/L 25 EST
Vapor Pressure 7.96E-03 mm Hg 25 EST
Henry's Law Constant 2.52E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.84E-11 cm3/molecule-sec 25 EST

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