Chemical Properties of Benztropine (CAS 86-13-5)

InChI

InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3

InChI Key

GIJXKZJWITVLHI-UHFFFAOYSA-N

Formula

C21H25NO

SMILES

CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2

Molecular Weight¹

307.43

CAS

86-13-5

Other Names

• 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, endo-
• 1«alpha»H,5«alpha»H-Tropane, 3«alpha»-(diphenylmethoxy)-
• Akitan
• Benzotropine
• Cobrentin
• Cogentinol
• NK-02
• Tropine benzohydryl ether
• Cogentine
• 3«alpha»-(Diphenylmethoxy)-1«alpha»H,5«alpha»H-tropane
• 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, (3-endo)-
• Benzatropine

• 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	-5.16		Crippen Calculated Property
logPoct/wat	4.418		Crippen Calculated Property
McVol	253.360	ml/mol	McGowan Calculated Property
Inp	[2287.00; 2334.00]
Inp	2310.00		NIST
Inp	2334.00		NIST
Inp	2302.00		NIST
Inp	2287.00		NIST
Inp	2320.00		NIST
Inp	2287.00		NIST
Inp	2314.00		NIST
Inp	2310.00		NIST

Similar Compounds

Find more compounds similar to Benztropine.

Sources

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

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