Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Anatabine
RN: 581-49-7
UNII: 5PP654XB7D
InChIKey: SOPPBXUYQGUQHE-JTQLQIEISA-N

Note

  • Alkaloid found in tobacco.

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H12-N2

Molecular Weight

  • 160.219
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Anatabine

Synonyms

  • (-)-Anatabine
  • (S)-1,2,3,6-Tetrahydro-2,3'-bipyridine
  • UNII-5PP654XB7D

Systematic Names

  • 1,2,3,6-Tetrahydro-2,3'-bipyridine
  • 2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (S)- (9CI)
  • Anatabine

Registry Numbers

CAS Registry Number

  • 581-49-7

FDA UNII

  • 5PP654XB7D

System Generated Number

  • 0000581497

Structure Descriptors

InChI

1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1

InChIKey

SOPPBXUYQGUQHE-JTQLQIEISA-N

Smiles

c1([C@@H]2CC=CCN2)cccnc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.060 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Atmospheric OH Rate Constant 1.52E-10 cm3/molecule-sec 25 EST

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