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(±)-Acetylcarnitine Chloride

CAT: 0572-TRC-A172003-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A172003-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2504-11-2
Synonyms
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (1:1); 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (9CI); 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (±)-; Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, acetate, (±)- (8CI); (±)-Acetylcarnitine chloride; Acetyl dl-carnitine chloride
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[Cl-].CC(=O)OC(CC(=O)O)C[N+](C)(C)C
Molecular Formula
C9 H18 N O4 . Cl
Molecular Weight
239.7
InChI
InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H
Additionnal Information
IUPAC name: (2-acetyloxy-3-carboxypropyl)-trimethylazanium;chloride
Shipping Conditions
Dry Pack
Storage Conditions
-20°C

Chemical Information

(+-)-Acetylcarnitine chloride

See also: 3-O-Acetyl-l-carnitine hydrochloride (annotation moved to); Levacecarnine hydrochloride (annotation moved to) ... View More ...

CAS Number2504-11-2
PubChem CID197763
IUPAC Name(2-acetyloxy-3-carboxypropyl)-trimethylazanium chloride
Molecular FormulaC9H18ClNO4
Molecular Weight239.69
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity219
SMILES
CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
InChI
InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H
InChIKey
JATPLOXBFFRHDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Acetylcarnitine chloride
CAS: 2504-11-2
CID: 197763
Formula: C9H18ClNO4
MW: 239.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.69
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass239.0924357
Monoisotopic Mass239.0924357
Topological Polar Surface Area63.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity219
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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