Chemical Properties of 1H-Pyrrolizine-1-carboxylic acid, hexahydro-, methyl ester (CAS 54514-96-4)

InChI

InChI=1S/C9H15NO2/c1-12-9(11)7-4-6-10-5-2-3-8(7)10/h7-8H,2-6H2,1H3

InChI Key

CFWZLIYRMYFCIH-UHFFFAOYSA-N

Formula

C9H15NO2

SMILES

COC(=O)C1CCN2CCCC12

Molecular Weight¹

169.22

CAS

54514-96-4

Other Names

• Chysin A

• 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	-0.68		Crippen Calculated Property
logPoct/wat	0.644		Crippen Calculated Property
McVol	133.370	ml/mol	McGowan Calculated Property
Inp	[1283.00; 1283.00]
Inp	1283.00		NIST
Inp	1283.00		NIST

Similar Compounds

Find more compounds similar to 1H-Pyrrolizine-1-carboxylic acid, hexahydro-, methyl ester.

Sources

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

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