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Substance Name: Phenanthridine
RN: 229-87-8
UNII: 62QGS7CPS6
InChIKey: RDOWQLZANAYVLL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H9-N

Molecular Weight

  • 179.221
 
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Names and Synonyms

Name of Substance

  • Phenanthridine

Synonyms

  • 3,4-Benzoisoquinoline
  • 3,4-Benzoquinoline
  • 5-20-08-00223 (Beilstein Handbook Reference)
  • 5-Azaphenanthrene
  • 6-Phenanthridine
  • 9-Azaphenanthrene
  • Benzo(c)quinoline
  • BRN 0120204
  • CCRIS 1234
  • EINECS 205-934-4
  • NSC 73482
  • Phenanthridine
  • UNII-62QGS7CPS6

Systematic Name

  • Phenanthridine

Registry Numbers

CAS Registry Number

  • 229-87-8

FDA UNII

  • 62QGS7CPS6

System Generated Number

  • 0000229878

Structure Descriptors

InChI

1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H

InChIKey

RDOWQLZANAYVLL-UHFFFAOYSA-N

Smiles

c12c3c(ncc1cccc2)cccc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107.4 deg C   EXP
Boiling Point 349 deg C   EXP
pKa Dissociation Constant 4.61 (none) 20 EXP
log P (octanol-water) 3.48 (none)   EXP
Water Solubility 300 mg/L 20 EXP
Vapor Pressure 2.08E-05 mm Hg 25 EXP
Henry's Law Constant 1.64E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.00E-12 cm3/molecule-sec 25 EST

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