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Substance Name: Isoquinoline, 1-amino-3-(2-pyridyl)-
RN: 37989-04-1
InChIKey: SZYOCGSGLNKIQO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-N3

Molecular Weight

  • 221.2619
 
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Names and Synonyms

Synonyms

  • 1-Amino-3-(2-pyridyl)isoquinoline
  • 1-Isoquinolinamine, 3-(2-pyridinyl)-
  • 5-25-11-00415 (Beilstein Handbook Reference)
  • BRN 0745886

Systematic Name

  • Isoquinoline, 1-amino-3-(2-pyridyl)-

Registry Numbers

CAS Registry Number

  • 37989-04-1

System Generated Number

  • 0037989041

Structure Descriptors

InChI

1S/C14H11N3/c15-14-11-6-2-1-5-10(11)9-13(17-14)12-7-3-4-8-16-12/h1-9H,(H2,15,17)

InChIKey

SZYOCGSGLNKIQO-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)cc(nc2N)c3ccccn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 185, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.74 (none)   EXP
Water Solubility 155 mg/L 25 EST
Vapor Pressure 1.94E-07 mm Hg 25 EST
Henry's Law Constant 2.44E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.53E-10 cm3/molecule-sec 25 EST

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