Chemical Properties of 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 1,2,3,7,9,10,11,13,14,14a-decahydro-, [7S-(7«alpha»,14«alpha»,14a«alpha»)]- (CAS 35611-60-0)

InChI

InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h4,11-12,14H,1-3,5-10H2

InChI Key

RBHZJMPNNPIYCI-UHFFFAOYSA-N

Formula

C15H22N2O

SMILES

O=C1CCCC2C3CC(CN12)C1=CCCCN1C3

Molecular Weight¹

246.35

CAS

35611-60-0

Other Names

• 11,12-Dehydrolupanine

• 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	-2.57		Crippen Calculated Property
logPoct/wat	1.997		Crippen Calculated Property
McVol	196.000	ml/mol	McGowan Calculated Property
Inp	[2174.00; 2193.00]
Inp	2190.00		NIST
Inp	2193.00		NIST
Inp	2174.00		NIST
Inp	2190.00		NIST
Inp	2190.00		NIST
Inp	2190.00		NIST
Inp	2190.00		NIST
Inp	2174.00		NIST

Similar Compounds

Find more compounds similar to 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, 1,2,3,7,9,10,11,13,14,14a-decahydro-, [7S-(7«alpha»,14«alpha»,14a«alpha»)]-.

Sources

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

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