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PIPES dipotassium salt

CAT: 0862-GB2841-500gSize: 500 gDry Ice: NoHazardous: No
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CAT#:0862-GB2841-500gSize:500 g
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CAS Number
108321-27-3
MDL Number
MFCD00069751
HS Code
2933599590
Purity
99.00%
Molecular Formula
C8H16K2N2O6S2
Molecular Weight
378.55
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

1,4-Piperazinediethanesulfonic acid, potassium salt (1:2)
CAS Number108321-27-3
PubChem CID176078
IUPAC Namedipotassium;2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate
Molecular FormulaC8H16K2N2O6S2
Molecular Weight378.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity370
SMILES
C1CN(CCN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[K+].[K+]
InChI
InChI=1S/C8H18N2O6S2.2K/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;/h1-8H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
InChIKey
BJQYFCAMUXGZFN-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 1,4-Piperazinediethanesulfonic acid, potassium salt (1:2)
CAS: 108321-27-3
CID: 176078
Formula: C8H16K2N2O6S2
MW: 378.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass377.9723916
Monoisotopic Mass377.9723916
Topological Polar Surface Area138 Ų
Heavy Atom Count20
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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