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Substance Name: 10-Azabenzo(a)pyrene
RN: 189-92-4
InChIKey: BYFIUFNRSNKODH-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C19-H11-N

Molecular Weight

  • 253.3029
 
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Names and Synonyms

Name of Substance

  • 10-Azabenzo(a)pyrene

Synonyms

  • 10-Azabenzo(a)pyrene
  • 3-Azabenzo(d)pyrene
  • 4-20-00-04414 (Beilstein Handbook Reference)
  • BRN 0014606
  • Pyreno(1,2-b)pyridine
  • Pyrenoline
  • Pyrido(2',3':4)pyrene

Systematic Name

  • Phenaleno(1,9-gh)quinoline

Registry Numbers

CAS Registry Number

  • 189-92-4

System Generated Number

  • 0000189924

Structure Descriptors

InChI

1S/C19H11N/c1-3-12-6-7-14-11-15-5-2-10-20-19(15)16-9-8-13(4-1)17(12)18(14)16/h1-11H

InChIKey

BYFIUFNRSNKODH-UHFFFAOYSA-N

Smiles

c1cc2ccc3cc4cccnc4c5c3c2c(c1)cc5

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.53 (none)   EXP
Water Solubility 0.033 mg/L 25 EST
Vapor Pressure 1.36E-08 mm Hg 25 EST
Henry's Law Constant 1.06E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EST

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