Clobutinol Impurity F

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CAS Number

22104-62-7

Synonyms

4- (Dimethylamino) -3-methylbutan-2-one

Molecular Formula

C7H15NO

Molecular Weight

129.2

API Name

Clobutinol

Chemical Information

4-Dimethylamino-3-methyl-2-butanone

CAS Number	22104-62-7
PubChem CID	90732
IUPAC Name	4-(dimethylamino)-3-methylbutan-2-one
Molecular Formula	C7H15NO
Molecular Weight	129.20
XLogP	0.5
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

CC(CN(C)C)C(=O)C

InChI

InChI=1S/C7H15NO/c1-6(7(2)9)5-8(3)4/h6H,5H2,1-4H3

InChIKey

SDABKFFSTRDBBD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22104-62-7

CID: 90732

Formula: C7H15NO

MW: 129.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.20
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	129.115364102
Monoisotopic Mass	129.115364102
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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
AR-C05526-01	Clobutinol Impurity 5
AR-C08022-01	Clobutinol Impurity 4
AR-C08021-01	Clobutinol Impurity 3
AR-C04114-01	Clobutinol Hydrochloride Impurity B
AR-C05525-01	Clobutinol Benzyl Chloride Impurity
AR-C03162-01	Clobutinol Impurity A Fumarate Salt
AR-C08024-01	Clobutinol Impurity 2 HCl
AR-C03161-01	Clobutinol HCl
AR-C08023-01	Clobutinol HCl-d6
AR-A02670-01	Acetylsalicylic Acid EP Impurity F (Aspirin Impurity F)

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