Basic information
- CAS
59997-81-8- Standard SMILES
CCCCCCCCCCC(C(=O)OCCNC)S(=O)(=O)O- InChIKey
NRNKEVDVWOVOLE-UHFFFAOYSA-N- Molecular formula
- C15H31NO5S
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.19229426
Names & identifiers
- Preferred name
- 1-(2-(Methylamino)ethyl) 2-sulfododecanoate
- IUPAC
- 1-[2-(methylamino)ethoxy]-1-oxododecane-2-sulfonic acid
Names & synonyms
1-(2-(METHYLAMINO)ETHYL) 2-SULFODODECANOATE59997-81-81-[2-(methylamino)ethoxy]-1-oxododecane-2-sulfonic acidDTXSID10975417
Database identifiers
- CAS
59997-81-8- PubChem CID
- 43162
- DTXSID
DTXSID10975417- Nikkaji
- J1.622.501K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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