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N-(Hydroxyethyl)piperazine-N'-2-hydroxypropanesulfonic acid

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Name

N-(Hydroxyethyl)piperazine-N'-2-hydroxypropanesulfonic acid

EINECS 269-990-1
CAS No. 68399-78-0 Density 1.382 g/cm3
PSA 109.69000 LogP -1.19840
Solubility almost transparency in Water Melting Point 158-160 °C
Formula C9H20N2O5S Boiling Point N/A
Molecular Weight 268.334 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36-45 Risk Codes 25-36/37/38
Molecular Structure Molecular Structure of 68399-78-0 (N-(Hydroxyethyl)piperazine-N'-2-hydroxypropanesulfonic acid) Hazard Symbols ToxicT,IrritantXi
Synonyms

HEPPSO;N-2-Hydroxyethylpiperazine-N'-2-hydroxypropanesulfonic acid;NSC 374113;

Article Data 1

N-(Hydroxyethyl)piperazine-N'-2-hydroxypropanesulfonic acid Specification

The 1-Piperazinepropanesulfonicacid, b-hydroxy-4-(2-hydroxyethyl)-, with the CAS registry number 68399-78-0, is also known as 2-Hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acid. It belongs to the product categories of Pharmaceutical Intermediates; Biochemistry; Good's Buffers; Buffer. Its EINECS registry number is 269-990-1. This chemical's molecular formula is C9H20N2O5S and molecular weight is 268.33. What's more, its IUPAC name is called 2-Hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 1-Piperazinepropanesulfonicacid, b-hydroxy-4-(2-hydroxyethyl)- are: (1)ACD/LogP: -3.554; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.07; (4)ACD/LogD (pH 7.4): -6.46; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 109.69 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 62.84 cm3; (15)Molar Volume: 194.157 cm3; (16)Polarizability: 24.912×10-24cm3; (17)Surface Tension: 60.841 dyne/cm; (18)Density: 1.382 g/cm3.

When you are dealing with this chemical, you should be very careful. This chemical is toxic if swallowed. It is irritating to eyes, respiratory system and skin. Therefore, you could take off immediately all contaminated clothing. And you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)CC(O)CN1CCN(CCO)CC1
(2) InChI: InChI=1S/C9H20N2O5S/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)
(3) InChIKey: GIZQLVPDAOBAFN-UHFFFAOYSA-N

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