Clenbuterol Impurity 15

CAT: 1299-RM-C551815-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C551815-01Size:10 mg

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CAS Number

38339-14-9

Synonyms

1- (4-amino-3,5-dichlorophenyl) -2- (butylamino) ethanol

Molecular Formula

C12H18Cl2N2O

Molecular Weight

277.19

Target Alternative Name

Clenbuterol

Product Name Synonym

1- (4-amino-3,5-dichlorophenyl) -2- (butylamino) ethanol

Chemical Information

1-(4-Amino-3,5-dichlorophenyl)-2-(butylamino)ethan-1-ol

CAS Number	38339-14-9
PubChem CID	217249
IUPAC Name	1-(4-amino-3,5-dichlorophenyl)-2-(butylamino)ethanol
Molecular Formula	C12H18Cl2N2O
Molecular Weight	277.19
XLogP	2.5
Topological Polar Surface Area	58.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	207

SMILES

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

InChI

InChI=1S/C12H18Cl2N2O/c1-2-3-4-16-7-11(17)8-5-9(13)12(15)10(14)6-8/h5-6,11,16-17H,2-4,7,15H2,1H3

InChIKey

DZJNVYOLNWBUED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38339-14-9

CID: 217249

Formula: C12H18Cl2N2O

MW: 277.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.19
XLogP3	2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	276.0796186
Monoisotopic Mass	276.0796186
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	207
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