Basic information
- CAS
10485-23-1- Standard SMILES
CCOC(=O)/C=C(\O)C[N+](C)(C)C.[Cl-]- InChIKey
RCMPUKHVPLSFPC-UHFFFAOYSA-N- Molecular formula
- C9H18ClNO3
- Average molar mass
- 223.7 g/mol
- Monoisotopic mass
- 223.0975211
Names & identifiers
- Preferred name
- (4-Ethoxy-2-hydroxy-4-oxobut-2-enyl)trimethylammonium chloride
- IUPAC
- [(Z)-4-ethoxy-2-hydroxy-4-oxobut-2-enyl]-trimethylazanium chloride
- English name
- (4-ethoxy-2-hydroxy-4-oxobut-2-enyl)trimethylammonium chloride
- Molecular formula
- C9H18ClNO3
- Molecular weight
- 223.69712
Names & synonyms
(4-Ethoxy-2-hydroxy-4-oxobut-2-enyl)trimethylammonium chlorideEINECS 233-999-9(4-ethoxy-4-hydroxy-2-oxobut-3-enyl)-trimethylazanium;chloride[(Z)-4-ethoxy-2-hydroxy-4-oxobut-2-enyl]-trimethylazanium;chloride1-Butanaminium,4-ethoxy-N,N,N-trimethyl-2,4-dioxo-, chloride (1:1)Levocarnitine Impurity 16Carnitine Chloride Impurity 9
Database identifiers
- CAS
10485-23-1- PubChem CID
- 54697482
- EC Number
- 233-999-9
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- Stability
- Hygroscopic
Chemistry & industry
Applications
Uses4-Ethoxy-N,N,N-trimethyl-2,4-dioxo-1-butanaminium Chloride is an intermediate in the synthesis of 3-Carboxy-N.N,N-trimethyl-2-oxo-1-propanaminium Chloride (C183230), which is a derivative of L-Carnitine (C184110).
Suppliers5 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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