1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride
Basic information
- CAS
78865-90-4- Standard SMILES
CCCCCCCCCCCC[N+](CCO)(CCO)CSCCCCCCCCCC.[Cl-]- InChIKey
QMKLVGXSOSUSEH-UHFFFAOYSA-M- Molecular formula
- C27H58ClNO2S
- Average molar mass
- 496.3 g/mol
- Monoisotopic mass
- 495.387679
Names & identifiers
- Preferred name
- 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride
- IUPAC
- decylsulfanylmethyl-dodecyl-bis(2-hydroxyethyl)azanium chloride
Names & synonyms
78865-90-41-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chlorideDTXSID301000094N-[(decylsulfanyl)methyl]-N,N-bis(2-hydroxyethyl)dodecan-1-aminium chloride
Database identifiers
- CAS
78865-90-4- PubChem CID
- 54301
- DTXSID
DTXSID301000094
Properties
Computed structural properties
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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