Basic information
- CAS
2281-11-0- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]- InChIKey
TUBRCQBRKJXJEA-UHFFFAOYSA-N- Molecular formula
- C21H45NO3S
- Average molar mass
- 391.7 g/mol
- Monoisotopic mass
- 391.31201547
Names & identifiers
- Preferred name
- N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
- IUPAC
- 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
- English name
- 3-(N,N-Dimethylpalmitylammonio)propanesulfonate
- Molecular formula
- C21H45NO3S
- Molecular weight
- 391.65
Names & synonyms
2281-11-0N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonateSulfobetaine 16HAF4AM3VBFNSC-628322DTXSID70177359HDMAPSRefChem:163464DTXCID10998503-(N-hexadecyl-N,N-dimethylammonium)propane sulfonate218-918-73-(N,N-Dimethylpalmitylammonio)propanesulfonate
Show more names
SB-16SHDABSB3-16RALUFON DPRALUFON (R) DPZwittergent? 3-16ZWITTERGENT(R) 3-16PALMITYL SULFOBETAINEZWITTERGENT 3-16 DETERGENT
3-(Hexadecyldimethylammonio)propane-1-sulfonateZwittergent 3-16sulfobetaine-16MFCD000369113-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner saltSB16Hexadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt
Database identifiers
- CAS
2281-11-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Melting point
- 242 °C · 242 °C
- Flash point
- 110 °C · 110 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- White solid
- color
- White to Off-White
- Water Solubility
- water: soluble
- BRN
- 4149854 · 4149854
- Major Application
- cell analysis
- InChI
- 1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3
- InChIKey
- TUBRCQBRKJXJEA-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O
- CAS DataBase Reference
- 2281 · 2281-11-0(CAS DataBase Reference)
- FDA UNII
- 4 AM3VBF · HAF4AM3VBF
- UNSPSC Code
- 12161902 · 12161902
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses3-(N,N-Dimethylpalmitylammonio)propanesulfonate has been used in a study to assess the characterization of rat dihydroceramide desaturase. It has also been used in a study to investigate the inhibition of mitochondrial carnitine–acylcarnitine translocase by sulfobetaines. It is also used for extraction of proteins for analysis by chromatography, mass spectroscopy, and electrophoretic methods.
General Description3-(N,N-Dimethylpalmitylammonio)propanesulfonate is a zwitterionic detergent.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Baoji Guokang Healthchem co.,ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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