Bupropion Nitroso Impurity

CAT: 1596-AR-B05693-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B05693-02Size:100 Units

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CAS Number

2763780-10-3

Synonyms

N- (Tert-butyl) -N- (1- (3-chlorophenyl) -1-oxopropan-2-yl) nitrous amide

Molecular Formula

C13H17ClN2O2

Molecular Weight

268.7

API Name

Bupropion

Chemical Information

2-[Tert-butyl(nitroso)amino]-1-(3-chlorophenyl)propan-1-one

CAS Number	2763780-10-3
PubChem CID	165995445
IUPAC Name	N-tert-butyl-N-[1-(3-chlorophenyl)-1-oxopropan-2-yl]nitrous amide
Molecular Formula	C13H17ClN2O2
Molecular Weight	268.74
XLogP	3.6
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	315

SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)N(C(C)(C)C)N=O

InChI

InChI=1S/C13H17ClN2O2/c1-9(16(15-18)13(2,3)4)12(17)10-6-5-7-11(14)8-10/h5-9H,1-4H3

InChIKey

IPHMVIXBRCCXRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2763780-10-3

CID: 165995445

Formula: C13H17ClN2O2

MW: 268.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.74
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	268.0978555
Monoisotopic Mass	268.0978555
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	315
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	1
Compound Is Canonicalized	Yes

Catalog	Name
CS-EO-02633	N-Nitroso Bupropion 3,5-Dichloro Impurity
CS-EO-02632	N-Nitroso Bupropion 3,4-Dichloro Impurity
RM-B161630-01	N-Nitroso-Bupropion
CS-O-38893	N-Nitroso Bupropion
CS-O-54120	N-Nitroso Deschloro Bupropion
CS-O-48596	N-Nitroso Bupropion-d9
TRC-C992558-50MG	Bupropion Impurity 11
RM-B161633-01	Bupropion Impurity 33
RM-B161637-01	Bupropion Impurity 37
RM-B161632-01	Bupropion Impurity 32