Disodium piperazine-1,4-diethanesulphonate supplier

Name
Disodium piperazine-1,4-diethanesulphonate
EINECS 278-562-3
CAS No. 76836-02-7
Density 1.72[at 20℃]
Solubility H2O: 0.5 g/mL, clear, colorless
Melting Point
Formula C₈H₁₆N₂Na₂O₆S₂
Boiling Point
Molecular Weight 346.33
Flash Point
Transport Information
Appearance White powder
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Piperazinediethanesulfonicacid, disodium salt (9CI);Disodium 1,4-piperazinebis(ethanesulfonate);Sodiumpipesate;
PSA 137.64000
LogP -0.26820

Disodium piperazine-1,4-diethanesulphonate Specification

The Disodium piperazine-1,4-diethanesulphonate with the CAS number 76836-02-7 is also called 1,4-Piperazinediethanesulfonicacid, sodium salt (1:2). The IUPAC name is disodium 2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate. Its molecular formula is C₈H₁₆N₂Na₂O₆S₂. The EINECS registry number is 278-562-3. The product category is Piperazine derivates. This chemical is white powder.

The properties of the Disodium piperazine-1,4-diethanesulphonate are: (1)ACD/LogP: -4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.7; (4)ACD/LogD (pH 7.4): -7.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 131.98 Å².

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)CCN1CCN(CCS([O-])(=O)=O)CC1
(2)InChI: InChI=1/C8H18N2O6S2.2Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;/h1-8H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
(3)InChIKey: GMHSTJRPSVFLMT-NUQVWONBAO

Product Name

Disodium piperazine-1,4-diethanesulphonate

Disodium piperazine-1,4-diethanesulphonate Specification

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