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Ethyl (1s,3s,4r,5r)-3-Benzoyloxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-4-Carboxylate

Ethyl (1S,3S,4R,5R)-3-Benzoyloxy-8-Methyl-8-Azabicyclo[3.2.1]Octane-4-Carboxylate / CAS : 529-38-4

Appearance solid UN 2811
HS 29339900 DG Class 6.1
Synonyms 8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid, 3-(Benzoyloxy)-8-Methyl-, Ethyl Ester, [1R-(Exo,Exo)]-; Ethyl Benzoylecgonine; Benzoylecgonine Ethyl Ester; Cocaethyline; Cocaethylene; Homococaine; Homocaine; Benzoylethylecgonin; Ethylcocaine
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Properties

Summary

Formula
C18H23NO4
Molecular Mass
317.38000
Exact Mass
317.16300
PSA
55.84000
Logp
2.19570
IUPAC
ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILES
CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
109ºC
Density
1.2g/cm3
Boiling Point
408.8ºC
Flash Point
201ºC
Appearance
solid
Acidity and Basicity
alkalinity

Export information

HS Code
29339900
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R25; R36; R20/21/22; R11
Safety Label
T; Xn; F

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