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Substance Name: Quinazoline, 4-amino-
RN: 15018-66-3
InChIKey: DRYRBWIFRVMRPV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N3

Molecular Weight

  • 145.164
 
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Names and Synonyms

Synonyms

  • 4-Aminoquinazoline
  • 4-Quinazolinamine
  • 4-Quinazolineamine

Systematic Name

  • Quinazoline, 4-amino-

Registry Numbers

CAS Registry Number

  • 15018-66-3

System Generated Number

  • 0015018663

Structure Descriptors

InChI

1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)

InChIKey

DRYRBWIFRVMRPV-UHFFFAOYSA-N

Smiles

c1ccc2c(N)ncnc2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 205mg/kg (205mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 434, 1990.
mouse LD50 oral 584mg/kg (584mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 434, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 5.7 (none) 20 EXP
log P (octanol-water) 1.28 (none)   EXP
Water Solubility 6430 mg/L 25 EST
Vapor Pressure 2.50E-04 mm Hg 25 EST
Henry's Law Constant 1.01E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 25 EST

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