Basic information
- CAS
63982-03-6- Standard SMILES
CCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]- InChIKey
RHMYLLZPXHTBMH-UHFFFAOYSA-M- Molecular formula
- C21H47NO4S
- Average molar mass
- 409.7 g/mol
- Monoisotopic mass
- 409.32258015
Names & identifiers
- Preferred name
- 1-Heptadecanaminium, N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- heptadecyl(trimethyl)azanium;methyl sulfate
- English name
- heptadecyltrimethylammonium methyl sulphate
- Molecular formula
- C21H47NO4S
- Molecular weight
- 409.66718
Names & synonyms
63982-03-61-Heptadecanaminium, N,N,N-trimethyl-, methyl sulfateEINECS 264-590-3Ammonium, heptadecyltrimethyl-, methyl sulfateHeptadecyl-trimethylamonium methylsulfat [Czech]Heptadecyl-trimethylamonium methylsulfatDTXSID0070029AMMONIUM, HEPTADECYLTRIMETHYL-, METHYLSULFATE1-Heptadecanaminium, N,N,N-trimethyl-, methyl sulfate (1:1)RefChem:75846DTXCID3044170Heptadecyltrimethylammonium methyl sulphate
Show more names
SCHEMBL25414052RHMYLLZPXHTBMH-UHFFFAOYSA-MNS00053558N,N,N-trimethylheptadecan-1-aminium methyl sulfate
Database identifiers
- CAS
63982-03-6- PubChem CID
- 46048
- DTXSID
DTXSID0070029- EC Number
- 264-590-3
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Heptadecanaminium, N,N,N-trimethyl-, methyl sulfate (63982-03-6)
- 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-Heptadecanaminium, 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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