BES sodium salt

CAT: 0862-GB9133-25gSize: 25 gDry Ice: NoHazardous: No

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CAT#:0862-GB9133-25gSize:25 g

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CAS Number

66992-27-6

MDL Number

MFCD00067425

Molecular Formula

C6H14NNaO5S

Molecular Weight

235.23

Hazardous Class

Not hazardous

Chemical Information

Sodium 2-(bis(2-hydroxyethyl)amino)ethane-1-sulfonate

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CAS Number	66992-27-6
PubChem CID	23671640
IUPAC Name	sodium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate
Molecular Formula	C6H14NNaO5S
Molecular Weight	235.24
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

C(CO)N(CCO)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H15NO5S.Na/c8-4-1-7(2-5-9)3-6-13(10,11)12;/h8-9H,1-6H2,(H,10,11,12);/q;+1/p-1

InChIKey

CFQLQLSIZOWFNV-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 66992-27-6

CID: 23671640

Formula: C6H14NNaO5S

MW: 235.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	235.24
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	235.04903800
Monoisotopic Mass	235.04903800
Topological Polar Surface Area	109 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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