Bupropion 3',4'-Dichloro Impurity

CAT: 1299-RM-B161610-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B161610-01Size:10 mg

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CAS Number

1346598-72-8

Synonyms

2- (tert-butylamino) -1- (3,4-dichlorophenyl) propan-1-one hydrochloride

Molecular Formula

C13H17Cl2NO*HCl

Molecular Weight

274.19*36.46

Target Alternative Name

Bupropion

Product Name Synonym

2- (tert-butylamino) -1- (3,4-dichlorophenyl) propan-1-one hydrochloride

Chemical Information

2-(tert-Butylamino)-3',4'-dichloropropiophenone Hydrochloride

CAS Number	1346598-72-8
PubChem CID	71314367
IUPAC Name	2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
Molecular Formula	C13H18Cl3NO
Molecular Weight	310.6
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	275

SMILES

CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)NC(C)(C)C.Cl

InChI

InChI=1S/C13H17Cl2NO.ClH/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9;/h5-8,16H,1-4H3;1H

InChIKey

YFAPNLTUNVYSBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1346598-72-8

CID: 71314367

Formula: C13H18Cl3NO

MW: 310.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	309.045397
Monoisotopic Mass	309.045397
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
RM-B161611-01	Bupropion 3',5'-Dichloro Impurity
RM-B161633-01	Bupropion Impurity 33
RM-B161637-01	Bupropion Impurity 37
RM-B161632-01	Bupropion Impurity 32
RM-B161620-01	Bupropion Impurity T
RM-B161629-01	Bupropion Impurity 29
RM-B161634-01	Bupropion Impurity 34
RM-B161613-01	Bupropion Morpholinol Impurity
RM-B161636-01	Bupropion Impurity 36
RM-B161635-01	Bupropion Impurity 35

Catalog	Name
AR-B02242-01	Bupropion 3,4-Dichloro Impurity HCl
AR-C04086-01	Bupropion 3,5-Dichloro Impurity
CS-EO-02632	N-Nitroso Bupropion 3,4-Dichloro Impurity
CS-EO-02633	N-Nitroso Bupropion 3,5-Dichloro Impurity
AR-B02243-01	Bupropion 3,5-Dichloro Impurity HCl salt
AR-B02400-01	Bupropion 3,5-Dichloro Impurity Fumarate Salt
AR-B08011-01	Bupropion Impurity 4
AR-B05790-01	Bupropion 3-Bromo Impurity
AR-B02246-01	Bupropion Impurity (3-Chlorobenzoic Acid)
AR-B02247-01	Bupropion Impurity