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Substance Name: Pyridine, 3-(4-aminobutyl)-
RN: 6021-23-4
InChIKey: WSPOELFRDPKVAZ-UHFFFAOYSA-N

Molecular Formula

  • C9-H14-N2

Molecular Weight

  • 150.224
 
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Names and Synonyms

Synonyms

  • 3-(4-Aminobutyl)pyridine
  • 3-Pyridylbutylamine
  • 4-(3-Pyridyl)butylamine
  • 4-(beta-Pyridyl)butylamine
  • 5-22-09-00443 (Beilstein Handbook Reference)
  • BRN 0117401

Systematic Names

  • 3-Pyridinebutanamine (9CI)
  • Pyridine, 3-(4-aminobutyl)-

Registry Numbers

CAS Registry Number

  • 6021-23-4

System Generated Number

  • 0006021234

Structure Descriptors

InChI

1S/C9H14N2/c10-6-2-1-4-9-5-3-7-11-8-9/h3,5,7-8H,1-2,4,6,10H2

InChIKey

WSPOELFRDPKVAZ-UHFFFAOYSA-N

Smiles

n1cc(CCCCN)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.
mouse LD50 intravenous 78mg/kg (78mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.88 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 0.014 mm Hg 25 EST
Henry's Law Constant 1.87E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.66E-11 cm3/molecule-sec 25 EST

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