Basic information
- CAS
20284-67-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]- InChIKey
IJUDDZYXRAJREZ-UHFFFAOYSA-N- Molecular formula
- C26H54N2O4S
- Average molar mass
- 490.8 g/mol
- Monoisotopic mass
- 490.38042938
Names & identifiers
- Preferred name
- Dimethyl(3-stearamidepropyl)(3-sulphonatopropyl)ammonium
- IUPAC
- 3-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]propane-1-sulfonate
- English name
- dimethyl(3-stearamidepropyl)(3-sulphonatopropyl)ammonium
- Molecular formula
- C26H54N2O4S
- Molecular weight
- 490.79
Names & synonyms
Dimethyl(3-stearamidepropyl)(3-sulphonatopropyl)ammonium20284-67-7EINECS 243-683-2SCHEMBL1133985DTXSID701741463-[dimethyl(3-octadecanamidopropyl)azaniumyl]propane-1-sulfonateNS001296783-[N,N-Dimethyl-(3-octadecanoylaminopropyl)ammonio]-propanesulfonateAmmonium, dimethyl(3-stearamidopropyl)(3-sulfopropyl)-, hydroxide, inner saltDimethyl[3-(stearoylamino)propyl](3-sulfonatopropyl)aminium
Database identifiers
- CAS
20284-67-7- PubChem CID
- 88458
- DTXSID
DTXSID70174146- EC Number
- 243-683-2
- Nikkaji
- J280.509J
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 23
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- pka
- 1.269 · 1.269±0.50(predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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