Basic Information | Post buying leads | Suppliers |
Name |
PIPES sesquisodium salt |
EINECS | 600-018-4 |
CAS No. | 100037-69-2 | Density | N/A |
PSA | 272.45000 | LogP | -0.19380 |
Solubility | soluble in water | Melting Point |
300 °C |
Formula | C16H33N4Na3O12S4 | Boiling Point | N/A |
Molecular Weight | 670.66 | Flash Point | N/A |
Transport Information | N/A | Appearance | White powder |
Safety | 22-24/25-37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,4-Piperazinediethanesulfonic acid sesquisodium salt;Piperazine-N,N'-bis(2-ethanesulfonic acid) sesquisodium salt;1,4-Piperazinediethanesulfonicacid, sodium salt (2:3); |
The 1,4-Piperazinediethanesulfonicacid, sodium salt (2:3) with CAS registry number of 100037-69-2 is also known as Piperazine-N,N'-bis(2-ethanesulfonic acid) sesquisodium salt. The IUPAC name is Trisodium; 2-[4-(2-sulfoethyl)piperazin-1-yl]ethanesulfonate; 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate. In addition, the formula is C16H33N4Na3O12S4 and the molecular weight is 670.66. This chemical is a white powder and should be sealed in cool, dry room.
Physical properties about 1,4-Piperazinediethanesulfonicacid, sodium salt (2:3) are: (1)ACD/LogP: -4.21; (2)ACD/LogD (pH 5.5): -7.7; (3)ACD/LogD (pH 7.4): -7.96; (4)ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 120.98Å2.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and eye/face protection. Do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-].C1CN(CCN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+].[Na+]
2. InChI: InChI=1S/2C8H18N2O6S2.3Na/c2*11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;;/h2*1-8H2,(H,11,12,13)(H,14,15,16);;;/q;;3*+1/p-3
3. InChIKey: FPDACHMSOMILQI-UHFFFAOYSA-K