Basic information
- CAS
17427-01-9- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS(=O)(=O)O- InChIKey
GXJQMKFJQFGQKV-UHFFFAOYSA-N- Molecular formula
- C21H41NO4S
- Average molar mass
- 403.6 g/mol
- Monoisotopic mass
- 403.27562996
Names & identifiers
- Preferred name
- (Z)-2-(methyloleylamino)ethansulfonsyre
- IUPAC
- 2-[methyl(octadec-9-enoyl)amino]ethanesulfonic acid
Names & synonyms
17427-01-9(Z)-2-(methyloleylamino)ethansulfonsyreSCHEMBL968704DTXSID108924932-[Methyl(oleoyl)amino]ethanesulfonic acid2-(N-Methyloctadec-9-enamido)ethane-1-sulfonic acid
Database identifiers
- CAS
17427-01-9- PubChem CID
- 7349
- DTXSID
DTXSID10892493
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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