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Substance Name: 3-Tropinone
RN: 532-24-1
UNII: 2A8CC8KA5F
InChIKey: QQXLDOJGLXJCSE-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C8-H13-N-O

Molecular Weight

  • 139.197
 
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Names and Synonyms

Name of Substance

  • 3-Tropinone

Synonyms

  • 3-Tropanone
  • 3-Tropinone
  • EINECS 208-530-6
  • NSC 118012
  • Tropanon
  • Tropanone
  • Tropinon
  • UNII-2A8CC8KA5F

Systematic Names

  • 1alphaH,5alphaH-Tropan-3-one
  • 8-Azabicyclo(3.2.1)octan-3-one, 8-methyl-
  • 8-Methyl-8-azabicyclo(3.2.1)octan-3-one
  • Tropinone

Registry Numbers

CAS Registry Number

  • 532-24-1

FDA UNII

  • 2A8CC8KA5F

Other Registry Numbers

  • 1207071-38-2
  • 25866-00-6
  • 35193-79-4

Related Registry Numbers

  • 4827-85-4 (hydrochloride)
  • 74051-45-9 (hydrobromide)

System Generated Number

  • 0000532241

Structure Descriptors

InChI

InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3

InChIKey

QQXLDOJGLXJCSE-UHFFFAOYSA-N

Smiles

CN1C2CCC1CC(=O)C2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
Boiling Point 227 deg C   EXP
log P (octanol-water) 0.430 (none)   EST
Atmospheric OH Rate Constant 1.22E-10 cm3/molecule-sec 25 EST

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