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Substance Name: Quinazoline
RN: 253-82-7
UNII: UB9QUR18NL
InChIKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-N2

Molecular Weight

  • 130.149
 
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Names and Synonyms

Name of Substance

  • Quinazoline

Synonyms

  • 1,3-Benzodiazine
  • 1,3-Diazanaphthalene
  • 5,6-Benzopyrimidine
  • Benzo(a)pyrimidine
  • EINECS 205-965-3
  • NSC 72372
  • Phenmiazine
  • UNII-UB9QUR18NL

Systematic Name

  • Quinazoline

Registry Numbers

CAS Registry Number

  • 253-82-7

FDA UNII

  • UB9QUR18NL

System Generated Number

  • 0000253827

Structure Descriptors

InChI

1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H

InChIKey

JWVCLYRUEFBMGU-UHFFFAOYSA-N

Smiles

c12c(cccc1)ncnc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 48 deg C   EXP
Boiling Point 241 deg C   EXP
pKa Dissociation Constant 3.43 (none) 20 EXP
log P (octanol-water) 1 (none)   EXP
Water Solubility 1.29E+04 mg/L 25 EST
Vapor Pressure 0.014 mm Hg 25 EST
Henry's Law Constant 2.85E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-12 cm3/molecule-sec 25 EST

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