Chemical Properties of Tropinone (CAS 532-24-1)

InChI

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

InChI Key

QQXLDOJGLXJCSE-UHFFFAOYSA-N

Formula

C8H13NO

SMILES

CN1C2CCC1CC(=O)C2

Molecular Weight¹

139.19

CAS

532-24-1

Other Names

• 8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-
• 1«alpha»H,5«alpha»H-Tropan-3-one
• Tropanon
• Tropanone
• Tropinon
• 3-Tropanone
• 3-Tropinone
• Tropionone
• 8-Methyl-8-azabicyclo[3.2.1]octan-3-one
• 1Ah,5ah-tropan-3-one
• N-Methyl-8-azabicyclo[3.2.1]octan-3-one
• NSC 118012
• 1alphaH,5alphaH-Tropan-3-one

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.64	eV	NIST
log10WS	-1.03		Crippen Calculated Property
logPoct/wat	0.812		Crippen Calculated Property
McVol	113.410	ml/mol	McGowan Calculated Property
Inp	[1150.00; 1201.80]
Inp	1150.00		NIST
Inp	1196.00		NIST
Inp	1201.80		NIST
Inp	1198.00		NIST
Inp	1153.00		NIST
Inp	1201.80		NIST
Inp	1196.00		NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Tropinone.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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