Basic information
- CAS
51847-35-9- Standard SMILES
CCOC(=O)C[C@H](O)C[N+](C)(C)C.[Br-]- InChIKey
JVNNOULEMFYNMO-QRPNPIFTSA-M- Molecular formula
- C9H20BrNO3
- Average molar mass
- 270.16 g/mol
- Monoisotopic mass
- 269.06266
Names & identifiers
- Preferred name
- Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, bromide, ethyl ester, (L)-
- IUPAC
- [(2S)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium bromide
Names & synonyms
AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, BROMIDE, ETHYL ESTER, (L)-51847-35-9RefChem:1076756L(-)-Karnitinaethylesterbromid [German]L(-)-Karnitinaethylesterbromid(L)-(3-Carboxy-2-hydroxypropyl)trimethylammonium bromide ethyl ester
Database identifiers
- CAS
51847-35-9- PubChem CID
- 40147
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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