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Substance Name: 3-Phenylpropylamine
RN: 2038-57-5
UNII: P8326EZ31P
InChIKey: LYUQWQRTDLVQGA-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.209
 
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Names and Synonyms

Name of Substance

  • 3-Phenylpropylamine

Synonyms

  • 1-Amino-3-phenylpropane
  • 3-Phenyl-1-propanamine
  • 3-Phenyl-n-propylamine
  • 3-Phenylpropylamine
  • 4-12-00-02625 (Beilstein Handbook Reference)
  • BRN 2205526
  • EINECS 218-012-1
  • gamma-Phenyl-n-propylamine
  • gamma-Phenylpropylamine
  • Hydrocinnamylamine
  • NSC 87080
  • UNII-P8326EZ31P

Systematic Names

  • 3-Phenylpropylamine
  • Benzenepropanamine (9CI)
  • Propylamine, 3-phenyl-

Registry Numbers

CAS Registry Number

  • 2038-57-5

FDA UNII

  • P8326EZ31P

System Generated Number

  • 0002038575

Structure Descriptors

InChI

1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2

InChIKey

LYUQWQRTDLVQGA-UHFFFAOYSA-N

Smiles

c1(ccccc1)CCCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 1gm/kg (1000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.
guinea pig LDLo parenteral 30mg/kg (30mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.
guinea pig LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09519,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 221 deg C   EXP
pKa Dissociation Constant 10.16 (none) 25 EXP
log P (octanol-water) 1.83 (none)   EXP
Water Solubility 2.44E+04 mg/L 25 EST
Vapor Pressure 0.112 mm Hg 25 EST
Henry's Law Constant 1.08E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.91E-11 cm3/molecule-sec 25 EST

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