Capryltrimethylammonium methosulfate
Basic information
- CAS
65059-98-5- Standard SMILES
CCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]- InChIKey
KAOPHVRFVWFGRN-UHFFFAOYSA-M- Molecular formula
- C14H33NO4S
- Average molar mass
- 311.48 g/mol
- Monoisotopic mass
- 311.21302971
Names & identifiers
- Preferred name
- Capryltrimethylammonium methosulfate
- IUPAC
- decyl(trimethyl)azanium;methyl sulfate
- English name
- trimethylammonium methyl sulphate
- Molecular formula
- C4H13NO4S
- Molecular weight
- 171.21532
Names & synonyms
1-Decanaminium, N,N,N-trimethyl-, methyl sulfateCapryltrimethylammonium methosulfate65059-98-580H8M5CME0DTXSID3070171CAPRYLTRIMONIUM METHOSULFATEdecyltrimethylammonium methylsulfateEINECS 265-351-61-Decanaminium, N,N,N-trimethyl-, methyl sulfate (1:1)Ammonium, decyltrimethyl-, methyl sulfateDECYLTRIMETHYLAMMONIUM METHOSULFATEL 2132
Show more names
Trimethylammonium methyl sulfate
L-2132RefChem:573785DTXCID0044440Trimethylammonium methyl sulphaten,n,n-trimethyldecan-1-aminium methyl sulfateUNII-80H8M5CME0SCHEMBL1040145KAOPHVRFVWFGRN-UHFFFAOYSA-M
Database identifiers
- CAS
65059-98-5- PubChem CID
- 103111
- DTXSID
DTXSID3070171- UNII
- 80H8M5CME0
- EC Number
- 265-351-6
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- FDA UNII
- 80 H8M5CME0 · 80H8M5CME0
- EPA Substance Registry System
- 1 · 1-Decanaminium, N,N,N-trimethyl-, methyl sulfate (65059-98-5)
- 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-Decanaminium, N,N,N-trimethyl-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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