1.Introduction of EPPS

The EPPS, with the CAS registry number 16052-06-5, is also known as 3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acid. It belongs to the product categories of Pharmaceutical Intermediates; Miscellaneous Biochemicals; Biochemistry; Good's Buffers. Its EINECS registry number is 240-198-8. This chemical's molecular formula is C₉H₂₀N₂O₄S and molecular weight is 252.33. What's more, its IUPAC name is called 3-[4-(2-Hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid. This chemical is used as a buffering agent in biology and biochemistry. Its chemical structure contains a piperazine ring.

2.Physical properties of EPPS

(1)ACD/LogP: -2.853; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.36; (4)ACD/LogD (pH 7.4): -5.50; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 89.46 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 61.327 cm³; (15)Molar Volume: 196.275 cm³; (16)Polarizability: 24.312×10^-24cm³; (17)Surface Tension: 52.085 dyne/cm; (18)Density: 1.286 g/cm³.

3.Structure descriptors of EPPS

(1) SMILES: O=S(=O)(O)CCCN1CCN(CCO)CC1
(2) InChI: InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
(3) InChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-N
 

4.Safety information of EPPS

This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

5. The toxicity data is as follows: