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Name

EPPS

 EINECS 240-198-8
CAS No. 16052-06-5 Density 1.285 g/cm3
PSA 89.46000 LogP -0.16920
Solubility Soluble in water. 25.2 g/L (20°C) Melting Point 237-239 °C(lit.)
Formula C9H20N2O4S Boiling Point N/A
Molecular Weight 252.335 Flash Point N/A
Transport Information N/A Appearance white crystalline powder
Safety 24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16052-06-5 (EPPS) Hazard Symbols IrritantXi
Synonyms

3-[4-(2-Hydroxyethyl)-1-piperazinyl]propanesulfonicacid;4-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acid;N-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acid;N-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid);N-(2-Hydroxyethyl)piperazine-N'-3-ethanesulfonic acid;EPPS;

Article Data 1

EPPS Synthetic route

20427-59-2

copper hydroxide

16052-06-5

4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid

N-(2-hydroxyethyl)-piperazine-N'-3-propane sulfonic acid copper(II) salt

Conditions
ConditionsYield
metal hydroxide dissoln. in org. acid soln. (pH 7 adjusting with additional org. acid); repeated dialysis against Cu(II)-salt soln., then against pure water;

cadmium(II) hydroxide

16052-06-5

4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid

N-(2-hydroxyethyl)-piperazine-N'-3-propane sulfonic acid cadmium(II) salt

Conditions
ConditionsYield
metal hydroxide dissoln. in org. acid soln. (pH 7 adjusting with additional org. acid); repeated dialysis against Cd-salt soln., then against pure water;
16052-06-5

4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid

14518-69-5

tetra-n-butylphosphonium hydroxide

[TBP][EPPS]

Conditions
ConditionsYield
In water at 20℃;
75-59-2

tetramethyl ammoniumhydroxide

16052-06-5

4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid

C9H19N2O4S(1-)*C4H12N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;
77-98-5

tetraethylammonium hydroxide

16052-06-5

4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid

C9H19N2O4S(1-)*C8H20N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;
2052-49-5

tetra(n-butyl)ammonium hydroxide

16052-06-5

4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid

C9H19N2O4S(1-)*C16H36N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;

EPPS Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 oral > 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

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