Basic information
- CAS
5625-56-9- Standard SMILES
O=S(=O)(O)CCCN1CCN(CCCS(=O)(=O)O)CC1- InChIKey
PDLPTSJWDUCMKS-UHFFFAOYSA-N- Molecular formula
- C10H22N2O6S2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.09192877
Names & identifiers
- Preferred name
- 1,4-Piperazinedipropanesulfonic acid
- IUPAC
- 3-[4-(3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
- English name
- 1,4-Piperazinedipropanesulfonic acid
- Molecular formula
- C10H22N2O6S2
- Molecular weight
- 330.42
Names & synonyms
5625-56-91,4-Piperazinedipropanesulfonic acidEINECS 227-059-7DTXSID3063966Piperazine-N,N'-bis(3-propanesulfonic acid)RefChem:73385DTXCID0042036PIPPS3-[4-(3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acidMFCD002741221,4-Piperazinedipropanesulfonicacid3,3'-(Piperazine-1,4-diyl)bis(propane-1-sulfonic acid)
Show more names
TIMTEC-BB SBB008974PIPPS - CAS 5625-56-9 - Calbiochem1,4-Piperazinebis(propane-1-sulfonic acid)PIPPS - CAS 5625-56-9 - Calbiochem[528315]1,4-Piperazine-N,N’-bis(propanesulfonic acid)Pipps1,4-Piperazine-N,NBis(PropanesulfonicAcid)
C10H22N2O6S2Piperazine-1,4-dipropanesulphonic acidSCHEMBL6718991,4-Piperazine-N,N'-bis(propane-3-sulphonic acid)orb29423241,4-bis(3-sulfopropyl) piperazineTSH-00142AKOS030239850
Database identifiers
- CAS
5625-56-9- PubChem CID
- 79724
- DTXSID
DTXSID3063966- EC Number
- 227-059-7
- Nikkaji
- J225.061F
Properties
Computed structural properties
- XLogP
- -6.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 400 °C · >400 °C (decomp)
- Density
- 1.413 · 1.413±0.06 g/cm3(Predicted)
- storage temp.
- 2 C · +2C to +8C
- solubility
- 1 % · water: 1% || 0.25 M NaOH: 5%
- form
- White solid
- pka
- 1.1 · 1.10±0.50(Predicted)
- color
- white
- Water Solubility
- 1 %0.25 · water: 1%0.25 M NaOH: 5%
- InChI
- 1S/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)
- InChIKey
- PDLPTSJWDUCMKS-UHFFFAOYSA-N
- SMILES
- [S](=O)(=O)(O)CCCN1CCN(CC1)CCC[S](=O)(=O)O
- EPA Substance Registry System
- 1 · 1,4-Piperazinedipropanesulfonic acid (5625-56-9)
- UNSPSC Code
- 12161703 · 12161703
- NACRES
- 28 · NA.28
- WGK Germany
- 1 · WGK 1
- TSCA
- TSCA listed
- HS Code
- 29335995 · 29335995
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 1
- tsca
- TSCA listed
- hs_code
- 29335995
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Piperazinedipropanesulfonic acid: INACTIVE
Applications
UsesPIPPS is a kind of buffer commonly used in biological and biochemical research to maintain the acidity and alkalinity (pH value) of solutions[1].
General DescriptionA non-metal complexing, zwitterionic buffer with mixed-mode dissociation constants of pKa1 = 3.73 and pKa2 = 7.96 (100 mM, 25°C) PIPPS has no interference at wavelengths longer than 240 nm.
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Related reactions
1 records
Compound notes
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