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Clenpenterol Hydrochloride

CAT: 0572-TRC-C572800-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C572800-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37158-47-7
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.CCC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
Molecular Formula
C13 H20 Cl2 N2 O . Cl H
Molecular Weight
327.68
InChI
InChI=1S/C13H20Cl2N2O.ClH/c1-4-13(2,3)17-7-11(18)8-5-9(14)12(16)10(15)6-8;/h5-6,11,17-18H,4,7,16H2,1-3H3;1H
Additionnal Information
IUPAC name: 1-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Clenpenterol hydrochloride
CAS Number37158-47-7
PubChem CID71312437
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
Molecular FormulaC13H21Cl3N2O
Molecular Weight327.7
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity251
SMILES
CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl
InChI
InChI=1S/C13H20Cl2N2O.ClH/c1-4-13(2,3)17-7-11(18)8-5-9(14)12(16)10(15)6-8;/h5-6,11,17-18H,4,7,16H2,1-3H3;1H
InChIKey
HJGDYFOIRCZBLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clenpenterol hydrochloride
CAS: 37158-47-7
CID: 71312437
Formula: C13H21Cl3N2O
MW: 327.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass326.071946
Monoisotopic Mass326.071946
Topological Polar Surface Area58.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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