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Substance Name: cis-3'-Hydroxycotinine
RN: 37096-14-3
InChIKey: XOKCJXZZNAUIQN-UHFFFAOYSA-N

Molecular Weight

  • 192.217
 
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Names and Synonyms

Results Name

  • cis-3'-Hydroxycotinine

Synonym

  • cis-3'-Hydroxycotinine

Systematic Name

  • 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3S,5S)-

Registry Numbers

CAS Registry Number

  • 37096-14-3

System Generated Number

  • 0037096143

Structure Descriptors

InChI

1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3

InChIKey

XOKCJXZZNAUIQN-UHFFFAOYSA-N

Smiles

c1ncccc1[C@@H]1C[C@@H](O)C(=O)N1C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.48E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 2.16E-07 mm Hg 25 EST
Henry's Law Constant 5.20E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.97E-11 cm3/molecule-sec 25 EST

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