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Buphedrone Hydrochloride

CAT: 0572-TRC-B689600-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B689600-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166593-10-8
Synonyms
Buphedrone Hydrochloride; 1-Butanone, 2-(methylamino)-1-phenyl-, hydrochloride (1:1); 1-Butanone, 2-(methylamino)-1-phenyl-, hydrochloride (9CI)
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.O=C(C=1C=CC=CC1)C(NC)CC
Molecular Formula
C11 H15 N O . H Cl
Molecular Weight
213.7
InChI
InChI=1S/C11H15NO.ClH/c1-3-10(12-2)11(13)9-7-5-4-6-8-9;/h4-8,10,12H,3H2,1-2H3;1H
Additionnal Information
IUPAC name: 2-(methylamino)-1-phenylbutan-1-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Buphedrone Hydrochloride
CAS Number166593-10-8
PubChem CID71776588
IUPAC Name2-(methylamino)-1-phenylbutan-1-one;hydrochloride
Molecular FormulaC11H16ClNO
Molecular Weight213.70
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
CCC(C(=O)C1=CC=CC=C1)NC.Cl
InChI
InChI=1S/C11H15NO.ClH/c1-3-10(12-2)11(13)9-7-5-4-6-8-9;/h4-8,10,12H,3H2,1-2H3;1H
InChIKey
WJQBARDMJLAIJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Buphedrone Hydrochloride
CAS: 166593-10-8
CID: 71776588
Formula: C11H16ClNO
MW: 213.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass213.0920418
Monoisotopic Mass213.0920418
Topological Polar Surface Area29.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
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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