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

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