Chemical Properties of Ecgonine (CAS 481-37-8)

InChI

InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1

InChI Key

PHMBVCPLDPDESM-RLXKETGRSA-N

Formula

C9H15NO3

SMILES

CN1C2CCC1C(C(=O)O)C(O)C2

Molecular Weight¹

185.22

CAS

481-37-8

Other Names

• 1«alpha»H,5«alpha»H-Tropane-2«beta»-carboxylic acid, 3«beta»-hydroxy-
• 1«alpha»H,5«alpha»H-Tropane-2«beta»-carboxylic acid, 3«beta»-hydroxy-
• 3«beta»-Hydroxy-2«beta»-tropanecarboxylic acid
• 3«beta»-Hydroxy-2«beta»-tropanecarboxylic acid
• 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (2-endo,3-exo)-
• 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, [1R-(exo,exo)]-
• Ekgonin
• L-ecgonine
• [1R*-(Exo,exo)]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Ecgonine.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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