CAS No.100037-69-2,PIPES sesquisodium salt Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	100037-69-2
Name:	PIPES sesquisodium salt

Formula:	C₁₆H₃₃N₄Na₃O₁₂S₄
Molecular Weight:	670.66
Synonyms:	1,4-Piperazinediethanesulfonic acid sesquisodium salt;Piperazine-N,N'-bis(2-ethanesulfonic acid) sesquisodium salt;1,4-Piperazinediethanesulfonicacid, sodium salt (2:3);
EINECS:	600-018-4
Melting Point:	300 °C
Solubility:	soluble in water
Appearance:	White powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-37/39-26
PSA:	272.45000
LogP:	-0.19380

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Specification

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