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NDSB-211

CAT: 0127-BUP14826Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP14826Size:1 g
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CAS Number
38880-58-9
Purity
=98%
Smiles
[OH-].C[N+](C)(CCO)CCCS(O)(=O)=O

Chemical Information

1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfo-, inner salt

NSDB 211 is an ammonium betaine derivative of propanesulfonic acid. One of a group of non-detergent sulfobetaines having a sulfobetaine hydrophilic group and a short hydrophobic group that cannot aggregate to form micelles.

CAS Number38880-58-9
PubChem CID4985784
IUPAC Name3-[2-hydroxyethyl(dimethyl)azaniumyl]propane-1-sulfonate
Molecular FormulaC7H17NO4S
Molecular Weight211.28
XLogP-1.2
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity216
SMILES
C[N+](C)(CCCS(=O)(=O)[O-])CCO
InChI
InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3
InChIKey
CNXPCGBLGHKAIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfo-, inner salt
CAS: 38880-58-9
CID: 4985784
Formula: C7H17NO4S
MW: 211.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.28
XLogP3-1.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass211.08782920
Monoisotopic Mass211.08782920
Topological Polar Surface Area85.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity216
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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CatalogName
2133-25GNDSB-211
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sc-204120NDSB-256
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