Basic information
- CAS
67355-36-6- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.O=S(=O)([O-])[O-]- InChIKey
OHYHWAITIOIHFP-UHFFFAOYSA-L- Molecular formula
- C38H84N2O4S
- Average molar mass
- 665.2 g/mol
- Monoisotopic mass
- 664.61518034
Names & identifiers
- Preferred name
- 1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1)
- IUPAC
- bis(hexadecyl(trimethyl)azanium);sulfate
Names & synonyms
67355-36-61-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1)DTXSID90453687RefChem:230676DTXCID20404506N,N,N-trimethylhexadecan-1-aminium sulfatecetyltrimethylammonium sulfateSCHEMBL716034Bis(N,N,N-trimethylhexadecan-1-aminium) sulfate
Database identifiers
- CAS
67355-36-6- PubChem CID
- 11061352
- DTXSID
DTXSID90453687
Properties
Computed structural properties
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 30
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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