1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
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Basic information
- CAS
78480-17-8- Standard SMILES
CC(C)OS(=O)(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C- InChIKey
TYZDCXVTANEDCG-UHFFFAOYSA-M- Molecular formula
- C22H49NO4S
- Average molar mass
- 423.7 g/mol
- Monoisotopic mass
- 423.33823022
Names & identifiers
- Preferred name
- 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)
- IUPAC
- hexadecyl(trimethyl)azanium;propan-2-yl sulfate
- English name
- hexadecyltrimethylammonium isopropyl sulphate
- Molecular formula
- C22H49NO4S
- Molecular weight
- 423.69376
Names & synonyms
78480-17-8Hexadecyltrimethylammonium, isopropyl sulfateEINECS 278-923-51-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfateDTXSID208885441-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1)RefChem:75882DTXCID401027821Hexadecyltrimethylammonium isopropyl sulphateTYZDCXVTANEDCG-UHFFFAOYSA-MNS00089350N,N,N-Trimethylhexadecan-1-aminium propan-2-yl sulfate
Database identifiers
- CAS
78480-17-8- PubChem CID
- 174138
- DTXSID
DTXSID20888544- EC Number
- 278-923-5
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (78480-17-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexadecanaminium, N,N,N-trimethyl-, 1-methylethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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