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| CAS No.: | 108321-08-0 |
|---|---|
| Name: | Piperazine-N,N'-bis(2-hydroxypropanesulfonic acid) sesquisodium salt |
| Molecular Structure: | |
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|
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| Formula: | C10H20N2Na2O8S2.C10H21N2NaO8S2 |
| Molecular Weight: | 790.79 |
| Synonyms: | 1,4-Piperazinedipropanesulfonicacid, b,b'-dihydroxy-, sodium salt (2:3) (9CI); |
| Hazard Symbols: |
 T
|
| Risk Codes: | 21-23/24/25-25-36/37/38 |
| Safety: | 26-36/37/39-45 |
| PSA: | 353.37000 |
| LogP: | -2.75020 |
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Specification
The cas register number of Piperazine-N,N'-bis(2-hydroxypropanesulfonic acid) sesquisodium salt is 108321-08-0. It also can be called as 1,4-Piperazinedipropanesulfonicacid, b1,b4-dihydroxy-, sodium salt (2:3) and the Systematic name about this chemical is trisodium; 2-hydroxy-3-[4-(2-hydroxy-3-sulfonatopropyl)piperazin-1-yl]propane-1-sulfonate; 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonate.
Physical properties about Piperazine-N,N'-bis(2-hydroxypropanesulfonic acid) sesquisodium salt are: (1)#H bond acceptors: 20; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 20; (4)Polar Surface Area: 353.37Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin and it is toxic by inhalation, in contact with skin and if swallowed, it is also irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)[O-])O.C1CN(CCN1CC(CS(=O)(=O)[O-])O)CC(CS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
(2)InChI: InChI=1/2C10H22N2O8S2.3Na/c2*13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20;;;/h2*9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20);;;/q;;3*+1/p-3
(3)InChIKey: OZLQPIXHRUVBEU-DFZHHIFOAD
(4)Std. InChI: InChI=1S/2C10H22N2O8S2.3Na/c2*13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20;;;/h2*9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20);;;/q;;3*+1/p-3
(5)Std. InChIKey: OZLQPIXHRUVBEU-UHFFFAOYSA-K