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Apoatropine

CAT: 1596-AR-A02938-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02938-02Size:50 Units
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CAS Number
500-55-0
Synonyms
(1R,5S) -8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacrylate; Apoatropine, 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacrylate; Benzeneacetic acid, alpha-methylene-, (3-endo) -8-methyl-8-azabicyclo (3.2.1) oct-3-yl ester; Benzeneacetic acid, alpha-methylene-, 8-methyl-8-azabicyclo (3.2.1) oct-3-yl ester, endo-; endo-alpha-Methylenebenzeneacetic acid 8-methyl-8-azabicyclo (3.2.1) oct-3-yl ester; Atropamine (Apoatropin)
Molecular Formula
C17H21NO2
Molecular Weight
271.36
API Name
Atropine

Chemical Information

Apoatropine

Apoatropine is a monocarboxylic acid.

CAS Number500-55-0
PubChem CID64695
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate
Molecular FormulaC17H21NO2
Molecular Weight271.35
XLogP3.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity372
SMILES
CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3
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
InChIKey
WPUIZWXOSDVQJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apoatropine
CAS: 500-55-0
CID: 64695
Formula: C17H21NO2
MW: 271.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.35
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass271.157228913
Monoisotopic Mass271.157228913
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
IA181919-01Apoatropine
FAA97881-01Apoatropine hydrochloride
HY-105797A-01Apoatropine (hydrochloride)
TRC-A729052-25MGApoatropine-d5
162662Apoatropine-d5 discontinued

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