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| CAS No.: | 89648-37-3 |
|---|---|
| Name: | HEPPSO sodium |
| Molecular Structure: | |
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| Formula: | C9H19N2NaO5S |
| Molecular Weight: | 290.31 |
| Synonyms: | 1-Piperazinepropanesulfonicacid, b-hydroxy-4-(2-hydroxyethyl)-,monosodium salt (9CI); |
| EINECS: | 635-882-1 |
| Hazard Symbols: |
 T
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| Risk Codes: | 25-36/37/38 |
| Safety: | 26-45 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 112.52000 |
| LogP: | -1.54100 |
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Specification
The cas register number of HEPPSO sodium is 89648-37-3. It also can be called as N-(2-Hydroxyethyl)piperazine-N'-(2-hydroxypropanesulfonic acid) sodium salt and the IUPAC Name about this chemical is sodium 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonate. It belongs to the Pharmaceutical Intermediates.
Physical properties about HEPPSO sodium are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 7; (3)Rotatable Bond Count: 6; (4)Exact Mass: 290.091237; (5)MonoIsotopic Mass: 290.091237; (6)Topological Polar Surface Area: 113; (7)Heavy Atom Count: 18; (8)Complexity: 313; (9)Undefined Atom StereoCenter Count: 1; (10)Covalently-Bonded Unit Count: 2.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed and it is irritating to eyes, respiratory system and skin. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) and 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: C1CN(CCN1CCO)CC(CS(=O)(=O)O)O.O.[Na+]
(2)InChI: InChI=1/C9H20N2O5S.Na.H2O/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16;;/h9,12-13H,1-8H2,(H,14,15,16);;1H2/q;+1;
(3)InChIKey: WFZFQLQUXBDJGQ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H20N2O5S.Na.H2O/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16;;/h9,12-13H,1-8H2,(H,14,15,16);;1H2/q;+1;
(5)Std. InChIKey: WFZFQLQUXBDJGQ-UHFFFAOYSA-N