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Substance Name: 3-Methylisoquinoline
RN: 1125-80-0
UNII: 4QUO6NYB5J
InChIKey: FVVXWRGARUACNW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H9-N

Molecular Weight

  • 143.188
 
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Names and Synonyms

Name of Substance

  • 3-Methylisoquinoline

Synonyms

  • 3-Methylisoquinoline
  • 5-20-07-00410 (Beilstein Handbook Reference)
  • AI3-61888
  • BRN 0110357
  • EINECS 214-412-5
  • NSC 4619
  • NSC 475
  • UNII-4QUO6NYB5J

Systematic Names

  • 3-Methylisoquinoline
  • Isoquinoline, 3-methyl-

Registry Numbers

CAS Registry Number

  • 1125-80-0

FDA UNII

  • 4QUO6NYB5J

System Generated Number

  • 0001125800

Structure Descriptors

InChI

1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3

InChIKey

FVVXWRGARUACNW-UHFFFAOYSA-N

Smiles

c12c(cnc(c1)C)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68 deg C   EXP
Boiling Point 249 deg C   EXP
pKa Dissociation Constant 5.64 (none) 25 EXP
log P (octanol-water) 2.68 (none)   EXP
Water Solubility 418 mg/L 25 EST
Vapor Pressure 9.52E-03 mm Hg 25 EST
Henry's Law Constant 7.60E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.77E-11 cm3/molecule-sec 25 EST

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