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Sulfobetaine-12

CAT: 0127-BUP19819-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-BUP19819-01Size:5 g
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CAS Number
14933-08-5
Synonyms
Zwittergent 3-12 Detergent
Purity
=98%
Smiles
O=S(=O)([O-])CCC[N+](C)(C)CCCCCCCCCCCC

Chemical Information

N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate

N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid is a quaternary ammonium ion resulting from the addition of a methyl group to the tertiary amino group of 3-[dodecyl(methyl)amino]propane-1-sulfonic acid. It is a conjugate acid of a lauryl sulfobetaine.

CAS Number14933-08-5
PubChem CID84704
IUPAC Namedodecyl-dimethyl-(3-sulfopropyl)azanium
Molecular FormulaC17H38NO3S+
Molecular Weight336.6
XLogP5.1
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count22
Formal Charge1
Complexity347
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
InChI
InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1
InChIKey
IZWSFJTYBVKZNK-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate
CAS: 14933-08-5
CID: 84704
Formula: C17H38NO3S+
MW: 336.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass336.25724025
Monoisotopic Mass336.25724025
Topological Polar Surface Area62.8 Ų
Heavy Atom Count22
Formal Charge1
Complexity347
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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