Chemical Properties of Cyclotropinec (CAS 862587-68-6)

InChI

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

InChI Key

YMPUMGQNTHXZLD-UHFFFAOYSA-N

Formula

C8H13NO

SMILES

C1CC2CC3CC1N2CO3

Molecular Weight¹

139.19

CAS

862587-68-6

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.34		Crippen Calculated Property
logPoct/wat	0.970		Crippen Calculated Property
McVol	106.850	ml/mol	McGowan Calculated Property
Inp	[1137.00; 1175.30]
Inp	1137.00		NIST
Inp	1175.30		NIST
Inp	1175.30		NIST
Inp	1137.00		NIST

Similar Compounds

Find more compounds similar to Cyclotropinec.

Sources

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

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