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Substance Name: Isoquinolin-N-oxide
RN: 1532-72-5
InChIKey: RZIAABRFQASVSW-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-N-O

Molecular Weight

  • 145.1603
 
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Names and Synonyms

Synonyms

  • EINECS 216-242-7
  • Isoquinoline 2-oxide
  • Isoquinoline N-oxide
  • Isoquinoline oxide
  • NSC 153684

Systematic Names

  • Isoquinolin-N-oxide
  • Isoquinoline, 2-oxide (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 1532-72-5

System Generated Number

  • 0001532725

Structure Descriptors

InChI

1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey

RZIAABRFQASVSW-UHFFFAOYSA-N

Smiles

c1ccc2c[n+](ccc2c1)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 103-105 deg C   EXP
log P (octanol-water) 0.25 (none)   EXP
Water Solubility 4.87E+04 mg/L 25 EST
Vapor Pressure 2.07E-04 mm Hg 25 EST
Henry's Law Constant 6.88E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.44E-11 cm3/molecule-sec 25 EST

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