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Bupropion Morpholinol-d6

CAT: 1596-AR-B02235-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B02235-02Size:25 Units
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CAS Number
1216893-18-3
Synonyms
2- (3-chlorophenyl) -3,5,5-trimethylmorpholin-2-ol-D6; 2-Hydroxy-2- (3’-chlorophenyl) -3,5,5-trimethylmorpholine-D6; 2- (3-Chlorophenyl) -3,5,5-trimethyl-2-morpholinol-D6; Bupropion morpholinol-D6; Bupropion Morpholinol Impurity-D6
Molecular Formula
C13H12D6ClNO2
Molecular Weight
261.78
API Name
Bupropion

Chemical Information

2-(3-Chlorophenyl)-3-methyl-5,5-bis(trideuteriomethyl)morpholin-2-ol
CAS Number1216893-18-3
PubChem CID45358931
IUPAC Name2-(3-chlorophenyl)-3-methyl-5,5-bis(trideuteriomethyl)morpholin-2-ol
Molecular FormulaC13H18ClNO2
Molecular Weight261.78
XLogP1.9
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity285
SMILES
[2H]C([2H])([2H])C1(COC(C(N1)C)(C2=CC(=CC=C2)Cl)O)C([2H])([2H])[2H]
InChI
InChI=1S/C13H18ClNO2/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/i2D3,3D3
InChIKey
RCOBKSKAZMVBHT-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Chlorophenyl)-3-methyl-5,5-bis(trideuteriomethyl)morpholin-2-ol
CAS: 1216893-18-3
CID: 45358931
Formula: C13H18ClNO2
MW: 261.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.78
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass261.1402670
Monoisotopic Mass261.1402670
Topological Polar Surface Area41.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity285
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3846015-01Bupropion morpholinol D6
HY-12766S-01Bupropion morpholinol-d6
A21587-10Bupropion morpholinol D6 10mg
A21587-5Bupropion morpholinol D6 5mg
A21587-1Bupropion morpholinol D6 1mg
HY-12766Bupropion morpholinol
CS-O-06114Hydroxy Bupropion (Bupropion Morpholinol)
TMIH-0129-01Bupropion Morpholinol-d8
RM-B161613-01Bupropion Morpholinol Impurity
RM-B161614-01Bupropion Morpholinol Impurity (Hcl Salt)

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