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Hydroxymethyl Clenbuterol

CAT: 0572-TRC-H948060-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H948060-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38339-18-3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(C)(CO)NCC(O)c1cc(Cl)c(N)c(Cl)c1
Molecular Formula
C12 H18 Cl2 N2 O2
Molecular Weight
293.19
InChI
InChI=1S/C12H18Cl2N2O2/c1-12(2,6-17)16-5-10(18)7-3-8(13)11(15)9(14)4-7/h3-4,10,16-18H,5-6,15H2,1-2H3
Additionnal Information
IUPAC name: 2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hydroxymethylclenbuterol
CAS Number38339-18-3
PubChem CID217252
IUPAC Name2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19
XLogP1.1
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity254
SMILES
CC(C)(CO)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C12H18Cl2N2O2/c1-12(2,6-17)16-5-10(18)7-3-8(13)11(15)9(14)4-7/h3-4,10,16-18H,5-6,15H2,1-2H3
InChIKey
BWURCANZQUYPLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxymethylclenbuterol
CAS: 38339-18-3
CID: 217252
Formula: C12H18Cl2N2O2
MW: 293.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.19
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass292.0745332
Monoisotopic Mass292.0745332
Topological Polar Surface Area78.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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