Chemical Properties of Benzeneacetic acid, «alpha»-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo- (CAS 500-55-0)

Benzeneacetic acid, «alpha»-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-

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InChI
InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3
InChI Key
WPUIZWXOSDVQJU-UHFFFAOYSA-N
Formula
C17H21NO2
SMILES
C=C(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
Molecular Weight1
271.35
CAS
500-55-0
Other Names
  • 1-«alpha»-H,5-«alpha»-H-Tropan-3-«alpha»-ol, atropate
  • Apoatropin
  • Apoatropine
  • Atropamin
  • Atropamine
  • Atropyltropeine
  • endo-«alpha»-Methylenebenzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
  • Tropic acid, 3-«alpha»-tropanyl ester
  • Tropine, atropate
  • Apohyoscyamin
  • Apohyoscyamine
  • Benzeneacetic acid, «alpha»-methylene-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
  • 1-«alpha»-5H«alpha»-Tropan-3«alpha»-ol, atropate (ester)
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Physical Properties

Property Value Unit Source
log10WS -3.62 Crippen Calculated Property
logPoct/wat 2.868 Crippen Calculated Property
McVol 218.030 ml/mol McGowan Calculated Property
Inp [2028.00; 2105.30]   Show Hide
Inp 2105.30 NIST
Inp 2028.00 NIST
Inp 2050.00 NIST
Inp 2028.00 NIST

Similar Compounds

N-Acetyl Norapoatropine. Norapoatropine. Aposcopolamine. 6-Hydroxyapoatropine. Homatropine. Phenylacetylscopine. 3«alpha»-Phenylacetoxytropane. 3«beta»-Phenylacetoxytropane. DL-Homatropine, trimethylsilyl ether. dl-Homatropine, methyl ether. Benzeneacetic acid, «alpha»-hydroxy-, 1,2,2,6-tetramethyl-4-piperidinyl ester. 3-Phenylacetoxy-6,7-epoxynortropane. 3«beta»-Feruloyloxytropane. Tropate, TMS. Benzeneacetic acid, «alpha»-[[(trimethylsilyl)oxy]methyl]-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1«alpha»,2«beta»,4«beta»,5«alpha»,7«beta»)]-.

Find more compounds similar to Benzeneacetic acid, «alpha»-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-.

Sources

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