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| CAS No.: | 16052-06-5 |
|---|---|
| Name: | EPPS |
| Molecular Structure: | |
|
|
|
| Formula: | C9H20N2O4S |
| Molecular Weight: | 252.335 |
| 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; |
| EINECS: | 240-198-8 |
| Density: | 1.285 g/cm3 |
| Melting Point: | 237-239 °C(lit.) |
| Solubility: | Soluble in water. 25.2 g/L (20°C) |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 89.46000 |
| LogP: | -0.16920 |
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copper hydroxide
- 16052-06-5
4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid
| Conditions | Yield |
|---|---|
| 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; |
- 16052-06-5
4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| In water at 20℃; |
- 75-59-2
tetramethyl ammoniumhydroxide
- 16052-06-5
4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid
| Conditions | Yield |
|---|---|
| In water at 20℃; for 12h; |
- 77-98-5
tetraethylammonium hydroxide
- 16052-06-5
4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid
| Conditions | Yield |
|---|---|
| In water at 20℃; for 12h; |
- 2052-49-5
tetra(n-butyl)ammonium hydroxide
- 16052-06-5
4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid
| Conditions | Yield |
|---|---|
| In water at 20℃; for 12h; |
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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. |