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alpha-Methylaminovalerophenone-d3 Hydrochloride

CAT: 0572-TRC-M287302-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M287302-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794754-24-7
Hazard Statement
No Data Available
Smiles
Cl.[2H]C([2H])([2H])NC(CCC)C(=O)c1ccccc1
Molecular Formula
C12 D3 H14 N O . H Cl
Molecular Weight
230.749
InChI
InChI=1S/C12H17NO.ClH/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10;/h4-6,8-9,11,13H,3,7H2,1-2H3;1H/i2D3;
Additionnal Information
IUPAC name: 1-phenyl-2-(trideuteriomethylamino)pentan-1-one;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Pentedrone-d3 Hydrochloride
CAS Number1794754-24-7
PubChem CID71750192
IUPAC Name1-phenyl-2-(trideuteriomethylamino)pentan-1-one;hydrochloride
Molecular FormulaC12H18ClNO
Molecular Weight230.75
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity173
SMILES
[2H]C([2H])([2H])NC(CCC)C(=O)C1=CC=CC=C1.Cl
InChI
InChI=1S/C12H17NO.ClH/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10;/h4-6,8-9,11,13H,3,7H2,1-2H3;1H/i2D3;
InChIKey
MACVVBRQAPNUKT-MUTAZJQDSA-N
Chemical Structure
2D Structure
2D structure of Pentedrone-d3 Hydrochloride
CAS: 1794754-24-7
CID: 71750192
Formula: C12H18ClNO
MW: 230.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.75
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass230.1265221
Monoisotopic Mass230.1265221
Topological Polar Surface Area29.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity173
Isotope Atom Count3
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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