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108321-27-3 molecular structure
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dipotassium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethane-1-sulfonate

ChemBase ID: 105448
Molecular Formular: C8H16K2N2O6S2
Molecular Mass: 378.54904
Monoisotopic Mass: 377.9723916
SMILES and InChIs

SMILES:
[K+].[K+].[O-]S(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)[O-]
Canonical SMILES:
[O-]S(=O)(=O)CCN1CCN(CC1)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

Cite this record

CBID:105448 http://www.chembase.cn/molecule-105448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dipotassium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethane-1-sulfonate
IUPAC Traditional name
dipotassium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate
dipotassium ion 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate
Synonyms
PIPES dipotassium salt
1,4-Piperazinediethanesulfonic acid dipotassium salt
Piperazine-1,4-bis(2-ethanesulfonic acid) dipotassium salt
PIPES DIPOTASSIUM SALT
1,4-哌嗪二乙磺酸 二钾盐
哌嗪-1,4-双(2-乙磺酸) 二钾盐
PIPES 二钾盐
CAS Number
108321-27-3
MDL Number
MFCD00069751
PubChem SID
24898738
162092125
PubChem CID
176078

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 176078 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.7776884  H Acceptors
H Donor LogD (pH = 5.5) -5.7796354 
LogD (pH = 7.4) -6.0082097  Log P -4.8887243 
Molar Refractivity 63.1674 cm3 Polarizability 27.05408 Å3
Polar Surface Area 120.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
pKa
6.8 (25°C) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% (titration) expand Show data source
Certificate of Analysis
Download expand Show data source
Useful pH Range
6.1 - 7.5 expand Show data source
Empirical Formula (Hill Notation)
C8H16K2N2O6S2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02190256 external link
Dipotassium Salt
Crystalline
pH Buffer range: 6.1 to 7.5

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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