Basic information
- CAS
78865-89-1- Standard SMILES
CCCCCCCCCCCC[N+](CCO)(CCO)CSCCCCCCCC.[Cl-]- InChIKey
YCPMTCSBPJPBCC-UHFFFAOYSA-M- Molecular formula
- C25H54ClNO2S
- Average molar mass
- 468.2 g/mol
- Monoisotopic mass
- 467.3563788
Names & identifiers
- Preferred name
- 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride
- IUPAC
- dodecyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium chloride
Names & synonyms
78865-89-11-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chlorideDTXSID601000093N,N-bis(2-hydroxyethyl)-N-[(octylsulfanyl)methyl]dodecan-1-aminium chloride
Database identifiers
- CAS
78865-89-1- PubChem CID
- 54299
- DTXSID
DTXSID601000093
Properties
Computed structural properties
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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