Asb-14
Basic information
- CAS
216667-08-2- Standard SMILES
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]- InChIKey
UTSXERRKRAEDOV-UHFFFAOYSA-N- Molecular formula
- C22H46N2O4S
- Average molar mass
- 434.7 g/mol
- Monoisotopic mass
- 434.31782913
Names & identifiers
- Preferred name
- Asb-14
- IUPAC
- 3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonate
- English name
- 3-(N N-dime(3-myristoylaminopropyl)ammo&
- Molecular formula
- C22H46N2O4S
- Molecular weight
- 434.67664
Names & synonyms
ASB-14DTXSID50398742RefChem:320212DTXCID80349601216667-08-2Amidosulfobetaine-143-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonateSCHEMBL15201633-[N,N-Dimethyl(3-palmitoylaminpropyl)ammonio]propanesulfonate3-(Dimethyl(3-tetradecanamidopropyl)ammonio)propane-1-sulfonateMFCD034561223-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-
Show more names
AMIDOSULFOBETAINE [ASB-14]ASB-14, Zwitterionic detergent3-(N N-dime(3-myristoylaminopropyl)ammo&3-(N,N-DIME(3-MYRISTOYLAMINOPROPYL)AMMONIO)PROPANESULFONATE*Amidosulfobetaine-14, 3-[N,N-Dimethyl(3-myristoylaminopropyl)ammonio]propanesulfonate
3-[dimethyl(3-tetradecanamidopropyl)azaniumyl]propane-1-sulfonate3-[N,N-dimethyl (3-myristoylaminopropyl)ammonio]propanesulfonate3-[dimethyl-[3-(tetradecanoylamino)propyl]ammonio]propane-1-sulfonateorb2942376C22H46N2O4SRIA66708TSH-00086AS-86285
Database identifiers
- CAS
216667-08-2- PubChem CID
- 4046965
- DTXSID
DTXSID50398742- EC Number
- 118-480-6
- Nikkaji
- J2.967.543K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL hot, nearly clear, faintly yellow
- form
- Solid
- color
- White to Off-White
- InChI
- 1S/C22H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(25)23-18-15-19-24(2,3)20-16-21-29(26,27)28/h4-21H2,1-3H3,(H-,23,25,26,27,28)
- InChIKey
- UTSXERRKRAEDOV-UHFFFAOYSA-N
- SMILES
- [S](=O)(=O)([O-])CCC[N+](CCCNC(=O)CCCCCCCCCCCCC)(C)C
- UNSPSC Code
- 12161902 · 12161902
- NACRES
- 28 · NA.28
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- Storage Class
- 11 · 11 - Combustible Solids
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesASB-14 has been used as a component of rehydration buffer for proteomic sample preparation from Leishmania donovani.
General DescriptionASB-14 comprises alkyl tails and amidosulfobetaine headgroup.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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