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Substance Name: Pelletierine
RN: 4396-01-4
UNII: NPL21M0A40
InChIKey: JEIZLWNUBXHADF-UHFFFAOYSA-N

Molecular Formula

  • C8-H15-N-O

Molecular Weight

  • 141.212
 
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Names and Synonyms

Name of Substance

  • Isopelletierine
  • Pelletierine

Synonyms

  • 1-(2-Piperidinyl)-2-propanone
  • EINECS 224-523-0
  • UNII-NPL21M0A40

Systematic Names

  • 1-(2-Piperidinyl)-2-propanone
  • Pelletierine

Registry Numbers

CAS Registry Number

  • 4396-01-4

FDA UNII

  • NPL21M0A40

System Generated Number

  • 0004396014

Structure Descriptors

InChI

1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3

InChIKey

JEIZLWNUBXHADF-UHFFFAOYSA-N

Smiles

N1CCCC[C@@H]1CC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.540 (none)   EST
Water Solubility 5.00E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 1.65E-10 cm3/molecule-sec 25 EST

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