Basic information
- CAS
16630-34-5- Standard SMILES
C[N+](C)(C)C[C@H](O)CC#N- InChIKey
NZDSGBWRZXBCRU-SSDOTTSWSA-N- Molecular formula
- C7H15N2O+
- Average molar mass
- 143.21 g/mol
- Monoisotopic mass
- 143.11843811
Names & identifiers
- Preferred name
- L-Carnitinenitrile
- IUPAC
- [(2R)-3-cyano-2-hydroxypropyl]-trimethylazanium
Names & synonyms
L-CarnitinenitrileLevocarnitine Impurity 20SCHEMBL1223291654K8596M9GNS00005339(2R)-3-Cyano-2-hydroxy-N,N,N-trimethyl-1-propanaminium1-Propanaminium, 3-cyano-2-hydroxy-N,N,N-trimethyl-, (2R)-16630-34-5
Database identifiers
- CAS
16630-34-5- PubChem CID
- 200830
- UNII
- 54K8596M9G
- Nikkaji
- J1.230.454D
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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