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Hydroxy Bupropion Hydrochloride

CAT: 0572-TRC-H830685-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H830685-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
866563-95-3
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
ClC1=CC=CC(C2(OCC(C)(NC2C)C)O)=C1.Cl
Molecular Formula
C13H18ClNO2 . HCl
Molecular Weight
292.2
InChI
InChI=1S/C13H18ClNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10;/h4-7,9,15-16H,8H2,1-3H3;1H
Additionnal Information
IUPAC name: 2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Hydroxy Bupropion Hydrochloride
CAS Number866563-95-3
PubChem CID10266310
IUPAC Name2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.20
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity285
SMILES
CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O.Cl
InChI
InChI=1S/C13H18ClNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10;/h4-7,9,15-16H,8H2,1-3H3;1H
InChIKey
ORXTVTDGPVINDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy Bupropion Hydrochloride
CAS: 866563-95-3
CID: 10266310
Formula: C13H19Cl2NO2
MW: 292.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.20
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass291.0792842
Monoisotopic Mass291.0792842
Topological Polar Surface Area41.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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