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Substance Name: beta-Aminopyridine
RN: 462-08-8
UNII: 69JE8P2L84
InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H6-N2

Molecular Weight

  • 94.1164
 
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Names and Synonyms

Name of Substance

  • 3-Aminopyridine
  • beta-Aminopyridine

Synonyms

  • 3-Aminopyridine
  • 3-Pyridinamine
  • 3-Pyridylamine
  • 5-22-09-00003 (Beilstein Handbook Reference)
  • AI3-52546
  • Amino-3 pyridine
  • beta-Aminopyridine
  • BRN 0105692
  • EINECS 207-322-2
  • NSC 15040
  • UNII-69JE8P2L84

Systematic Names

  • 3-Pyridinamine
  • 3-Pyridylamine
  • Pyridine, 3-amino-

Superlist Names

  • m-Aminopyridine
  • m-Aminopyridine [UN2671] [Poison]
  • UN2671

Registry Numbers

CAS Registry Number

  • 462-08-8

FDA UNII

  • 69JE8P2L84

Related Registry Number

  • 73074-20-1 (mono-hydrochloride)

System Generated Number

  • 0000462088

Structure Descriptors

InChI

1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2

InChIKey

CUYKNJBYIJFRCU-UHFFFAOYSA-N

Smiles

c1(cccnc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 13300ug/kg (13.3mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intracrebral 4mg/kg (4mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Australian Journal of Experimental Biology and Medical Science. Vol. 36, Pg. 365, 1958.
mouse LD50 intraperitoneal 28mg/kg (28mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 296, 1965.
mouse LD50 intravenous 24mg/kg (24mg/kg)   Annales Pharmaceutiques Francaises. Vol. 26, Pg. 345, 1968.
mouse LD50 subcutaneous 30mg/kg (30mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 226, Pg. 163, 1955.
quail LD50 oral 178mg/kg (178mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64.5 deg C   EXP
Boiling Point 252 deg C   EXP
pKa Dissociation Constant 6.03 (none) 24 EXP
log P (octanol-water) 0.11 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.437 mm Hg 25 EST
Henry's Law Constant 2.49E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.04E-11 cm3/molecule-sec 25 EST

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