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Zwittergent 3-16

CAT: 0013-GTR19243830-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243830-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3- (Hexadecyldimethylammonio) propane-1-sulfonate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
2281-11-0
Purity
>98% (HPLC)
Smiles
O=S (=O) ([O-]) CCC[N+] (C) (C) CCCCCCCCCCCCCCCC
Molecular Formula
C21H45NO3S
Molecular Weight
391.65
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
CAS Number2281-11-0
PubChem CID92176
IUPAC Name3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
Molecular FormulaC21H45NO3S
Molecular Weight391.7
XLogP7.2
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count26
Formal Charge0
Complexity389
SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI
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
Chemical Structure
2D Structure
2D structure of N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
CAS: 2281-11-0
CID: 92176
Formula: C21H45NO3S
MW: 391.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.7
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass391.31201547
Monoisotopic Mass391.31201547
Topological Polar Surface Area65.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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