Clenbuterol Impurity 21

CAT: 1299-RM-C551821-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C551821-01Size:10 mg

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CAS Number

129138-58-5

Synonyms

1- (4-amino-3,5-dichlorophenyl) -2- ((2- (methyl-d3) propan-2-yl-1,1,1,3,3,3-d6) amino) ethan-1-ol

Molecular Formula

C12H9D9Cl2N2O

Molecular Weight

286.24

Target Alternative Name

Clenbuterol

Product Name Synonym

1- (4-amino-3,5-dichlorophenyl) -2- ((2- (methyl-d3) propan-2-yl-1,1,1,3,3,3-d6) amino) ethan-1-ol

Chemical Information

Clenbuterol-d9

CAS Number	129138-58-5
PubChem CID	12757028
IUPAC Name	1-(4-amino-3,5-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol
Molecular Formula	C12H18Cl2N2O
Molecular Weight	286.24
XLogP	2.2
Topological Polar Surface Area	58.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	233

SMILES

[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O

InChI

InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/i1D3,2D3,3D3

InChIKey

STJMRWALKKWQGH-GQALSZNTSA-N

Chemical Structure

2D Structure

CAS: 129138-58-5

CID: 12757028

Formula: C12H18Cl2N2O

MW: 286.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	286.24
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	285.1361093
Monoisotopic Mass	285.1361093
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	233
Isotope Atom Count	9
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