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Substance Name: Isopentylamine hydrochloride
RN: 541-23-1
UNII: TX9WUC0O2R
InChIKey: HOMVDRDAAUYWKL-UHFFFAOYSA-N

Molecular Formula

  • C5-H13-N.Cl-H

Molecular Weight

  • 123.6256
 
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Names and Synonyms

Name of Substance

  • Isopentylamine hydrochloride

Synonyms

  • Isoamylamine hydrochloride
  • Isopentylamine hydrochloride
  • Isopentylammonium chloride
  • NSC 210908
  • UNII-TX9WUC0O2R

Systematic Names

  • 1-Butanamine, 3-methyl-, hydrochloride (9CI)
  • Isopentylamine, hydrochloride

Registry Numbers

CAS Registry Number

  • 541-23-1

FDA UNII

  • TX9WUC0O2R

Related Registry Number

  • 107-85-7 (Parent)

System Generated Number

  • 0000541231

Molecular Formulas

Molecular Formula

  • C5-H13-N.Cl-H

Molecular Formula Fragments

  • C5-H13-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H

InChIKey

HOMVDRDAAUYWKL-UHFFFAOYSA-N

Smiles

CC(C)CCN.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo unreported 1500mg/kg (1500mg/kg)   Chemical Reviews. Vol. 9, Pg. 389, 1931.
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 60(3), Pg. 78S, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.930 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 3.99E-05 mm Hg 25 EST
Henry's Law Constant 2.18E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.48E-11 cm3/molecule-sec 25 EST

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