Basic information
- CAS
14548-19-7- Standard SMILES
CCOC(=O)C[C@@H](O)C[N+](C)(C)C.[Br-]- InChIKey
JVNNOULEMFYNMO-DDWIOCJRSA-M- Molecular formula
- C9H20BrNO3
- Average molar mass
- 270.16 g/mol
- Monoisotopic mass
- 269.06266
Names & identifiers
- Preferred name
- 4-Ethoxy-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromide
- IUPAC
- [(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium bromide
Names & synonyms
14548-19-7DTXSID209326124-Ethoxy-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromideRefChem:1070581DTXCID401361300D(+)-Karnitinaethylesterbromid [German]D(+)-Karnitinaethylesterbromid(D)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide ethyl esterAMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, BROMIDE, ETHYL ESTER, (D)-SCHEMBL30097441(2R)-4-Ethoxy-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium bromide
Database identifiers
- CAS
14548-19-7- PubChem CID
- 26729
- DTXSID
DTXSID20932612
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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