Basic information
- CAS
104061-09-8- Standard SMILES
C[N+](C)(C)CC(CC(=O)[O-])SCC(=O)c1ccc(N=[N+]=[N-])cc1- InChIKey
DTJOXIFZJQVZPU-UHFFFAOYSA-N- Molecular formula
- C15H20N4O3S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.12561169
Names & identifiers
- Preferred name
- 4-Azidophenacetylthiocarnitine
- IUPAC
- 3-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-4-(trimethylazaniumyl)butanoate
- English name
- 4-azidophenacetylthiocarnitine
- Molecular formula
- C15H20N4O3S
- Molecular weight
- 336.4093
Names & synonyms
4-AzidophenacetylthiocarnitinePap-TC104061-09-8RefChem:97932DTXSID209087763-{[2-(4-Azidophenyl)-2-oxoethyl]sulfanyl}-4-(trimethylazaniumyl)butanoate
Database identifiers
- CAS
104061-09-8- PubChem CID
- 128488
- DTXSID
DTXSID20908776
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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