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Substance Name: 2,6-Dimethylquinoline
RN: 877-43-0
UNII: KST0M1T4MB
InChIKey: JJPSZKIOGBRMHK-UHFFFAOYSA-N

Note

  • From roots of Peucedanum praeruptorum II.

Molecular Formula

  • C11-H11-N

Molecular Weight

  • 157.215
 
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Names and Synonyms

Name of Substance

  • 2,6-Dimethylquinoline

Synonyms

  • 2,6-Dimethylquinoline
  • 6-Methylquinaldine
  • AI3-03277
  • EINECS 212-891-5
  • NSC 1782
  • p-Toluquinaldine
  • UNII-KST0M1T4MB

Systematic Names

  • 2,6-Dimethylquinoline
  • Quinoline, 2,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 877-43-0

FDA UNII

  • KST0M1T4MB

System Generated Number

  • 0000877430

Structure Descriptors

InChI

1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3

InChIKey

JJPSZKIOGBRMHK-UHFFFAOYSA-N

Smiles

c12c(nc(C)cc2)ccc(c1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60 deg C   EXP
Boiling Point 266.5 deg C   EXP
pKa Dissociation Constant 5.02 (none) 25 EXP
log P (octanol-water) 3.240 (none)   EST
Water Solubility 121 mg/L 25 EST
Henry's Law Constant 8.38E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.64E-11 cm3/molecule-sec 25 EST

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