CAS No.5625-56-9,1,4-Piperazinedipropanesulfonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5625-56-9
Name:	1,4-Piperazinedipropanesulfonic acid
Article Data:	3

Formula:	C₁₀H₂₂N₂O₆S₂
Molecular Weight:	330.426
Synonyms:	PIPPS;3,3'-Piperazine-1,4-diyldipropane-1-sulfonic acid;Piperazine-N,N'-bis(3-propanesulfonic acid);
EINECS:	227-059-7
Density:	1.413 g/cm³
Appearance:	White Powder
PSA:	131.98000
LogP:	1.19720

Total:12 Page 1 of 1 1

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Specification

The 1,4-Piperazinedipropanesulfonic acid with the cas number 5625-56-9 is also called PIPPS. The IUPAC name is 3-[4-(3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid. Its EINECS registry number is 227-059-7. The molecular formula is C₁₀H₂₂N₂O₆S₂.

The properties of the chemical are: (1)ACD/LogP: -3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.13; (4)ACD/LogD (pH 7.4): -7.42; (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: 8; (12)Polar Surface Area: 109.98Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 74.77 cm³; (15)Molar Volume: 233.8 cm³; (16)Polarizability: 29.64×10^-24cm³; (17)Surface Tension: 58.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CCCN1CCN(CCCS(=O)(=O)O)CC1
(2)InChI: InChI=1/C10H22N2O6S2/c13-19(14,15)9-1-3-11-5-7-12(8-6-11)4-2-10-20(16,17)18/h1-10H2,(H,13,14,15)(H,16,17,18)
(3)InChIKey: PDLPTSJWDUCMKS-UHFFFAOYAO