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Substance Name: 4-Phenylbutylamine
RN: 13214-66-9
InChIKey: AGNFWIZBEATIAK-UHFFFAOYSA-N

Note

  • Used as a drug partition into lipid bilayers in a cubic liquid-crystalline phase.

Molecular Formula

  • C10-H15-N

Molecular Weight

  • 149.236
 
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Names and Synonyms

Name of Substance

  • 4-Phenylbutylamine

Synonym

  • EINECS 236-186-7

Systematic Name

  • 4-Phenylbutylamine

Registry Numbers

CAS Registry Number

  • 13214-66-9

System Generated Number

  • 0013214669

Structure Descriptors

InChI

1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

InChIKey

AGNFWIZBEATIAK-UHFFFAOYSA-N

Smiles

c1ccccc1CCCCN

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 10.36 (none) 25 EXP
log P (octanol-water) 2.4 (none)   EXP
Water Solubility 6950 mg/L 25 EST
Vapor Pressure 0.035 mm Hg 25 EST
Henry's Law Constant 1.43E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.05E-11 cm3/molecule-sec 25 EST

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