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D,L Carnitine-d9 Chloride

CAT: 0572-TRC-C184102-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C184102-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219386-75-0
Synonyms
3-Carboxy-2-hydroxy-N,N,N-(trimethyl-d9)-1-propanaminium Chloride; (3-Carboxy-2-hydroxypropyl)(trimethyl-d9)ammonium Chloride; Aplegin-d9; Bicarnesine-d9; (+/-)-Carnitine Chloride;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[Cl-].[2H]C([2H])([2H])[N+](CC(O)CC(=O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C7 D9 H7 N O3 . Cl
Molecular Weight
206.72
InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/i1D3,2D3,3D3;
Additionnal Information
IUPAC name: (3-carboxy-2-hydroxypropyl)-tris(trideuteriomethyl)azanium;chloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

D,L Carnitine-d9 Chloride
CAS Number1219386-75-0
PubChem CID45038579
IUPAC Name(3-carboxy-2-hydroxypropyl)-tris(trideuteriomethyl)azanium chloride
Molecular FormulaC7H16ClNO3
Molecular Weight206.71
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
[2H]C([2H])([2H])[N+](CC(CC(=O)O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-]
InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/i1D3,2D3,3D3;
InChIKey
JXXCENBLGFBQJM-KYRNGWDOSA-N
Chemical Structure
2D Structure
2D structure of D,L Carnitine-d9 Chloride
CAS: 1219386-75-0
CID: 45038579
Formula: C7H16ClNO3
MW: 206.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass206.1383618
Monoisotopic Mass206.1383618
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
Isotope Atom Count9
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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