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Substance Name: Quinazoline, 4-methoxy-
RN: 16347-95-8
InChIKey: QHHPPKHDJVVPQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-N2-O

Molecular Weight

  • 160.175
 
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Names and Synonyms

Synonyms

  • 4-Methoxyquinazoline
  • 5-23-11-00440 (Beilstein Handbook Reference)
  • BRN 0124931
  • NSC 45918

Systematic Name

  • Quinazoline, 4-methoxy-

Registry Numbers

CAS Registry Number

  • 16347-95-8

System Generated Number

  • 0016347958

Structure Descriptors

InChI

1S/C9H8N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6H,1H3

InChIKey

QHHPPKHDJVVPQH-UHFFFAOYSA-N

Smiles

c12c(ncnc1OC)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 300mg/kg (300mg/kg)   Chimica Therapeutica. Vol. 2, Pg. 202, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.07 (none) 20 EXP
log P (octanol-water) 1.97 (none)   EXP
Water Solubility 1420 mg/L 25 EST
Vapor Pressure 1.57E-03 mm Hg 25 EST
Henry's Law Constant 1.54E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.29E-11 cm3/molecule-sec 25 EST

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