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CAS No.: | 108321-27-3 |
---|---|
Name: | Piperazine-N,N'-bis-(2-ethanesulphonic acid) dipotassium salt |
Molecular Structure: | |
Formula: | C8H16K2N2O6S2 |
Molecular Weight: | 378.55 |
Synonyms: | 1,4-Piperazinediethanesulfonicacid, dipotassium salt (9CI);Dipotassium piperazine-1,4-bis(2-ethanesulfonate);Piperazine-1,4-bis(2-ethanesulfonic acid) dipotassium salt; |
Solubility: | 0.5 g/mL, clear, colorless in water |
Appearance: | White crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 137.64000 |
LogP: | -0.26820 |
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The CAS register number of Piperazine-N,N'-bis-(2-ethanesulphonic acid) dipotassium salt is 108321-27-3. It also can be called as Piperazine-1,4-bis(2-ethanesulfonic acid) dipotassium salt and the systematic name about this chemical is dipotassium 2,2'-piperazine-1,4-diyldiethanesulfonate. The molecular formula about this chemical is C8H16K2N2O6S2 and the molecular weight is 378.55.
Physical properties about Piperazine-N,N'-bis-(2-ethanesulphonic acid) dipotassium salt are: (1)ACD/LogP: -4.21; (2)ACD/LogD (pH 5.5): -7.7; (3)ACD/LogD (pH 7.4): -7.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 131.98 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[K+].[O-]S(=O)(=O)CCN1CCN(CCS([O-])(=O)=O)CC1
(2)InChI: InChI=1/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
(3)InChIKey: BJQYFCAMUXGZFN-NUQVWONBAG
(4)Std. 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
(5)Std. InChIKey: BJQYFCAMUXGZFN-UHFFFAOYSA-L