4-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butane-1-sulfonic acid
Basic information
- CAS
54960-65-5- Standard SMILES
O=S(=O)(O)CCCCNC(CO)(CO)CO- InChIKey
VFTZCDVTMZWNBF-UHFFFAOYSA-N- Molecular formula
- C8H19NO6S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.0933085
Overview
N-tris(hydroxymethyl)methyl-4-aminobutanesulfonic acid is an organosulfonic acid.
Names & identifiers
- Preferred name
- 4-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butane-1-sulfonic acid
- IUPAC
- 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]butane-1-sulfonic acid
- English name
- N-Tris[hydroxymethyl]methyl-4-aminobutanesulfonic acid
- Molecular formula
- C8H19NO6S
- Molecular weight
- 257.3
Names & synonyms
54960-65-5Tabs4-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)butane-1-sulfonic acid4-[[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-1-butanesulfonic acid4-{[1,3-DIHYDROXY-2-(HYDROXYMETHYL)PROPAN-2-YL]AMINO}BUTANE-1-SULFONIC ACID4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]butane-1-sulfonic AcidMFCD29916839N-tris(Hydroxymethyl)methyl-4-aminobutanesulfonic acidSCHEMBL161583orb2942311TABS, 97%DTXSID00398934
Show more names
N-Tris[hydroxymethyl]methyl-4-aminobutanesulfonic acidTABS (N-Tris(hydroxymethyl)methyl-4-aminobutanesulfonic acid)1-Butanesulfonic acid, 4-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-
TQP1564CHEBI:183938VFTZCDVTMZWNBF-UHFFFAOYSA-NECA96065TSH-00155AKOS027320293HY-W643127AS-72626
Database identifiers
- CAS
54960-65-5- PubChem CID
- 4064326
- DTXSID
DTXSID00398934- ChEBI
CHEBI:183938- Nikkaji
- J2.638.600D
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Density
- 1.25825 g/cm3 · 1.25825 g/cm3(Temp: 25.00 °C)
- pka
- 1.68 · 1.68±0.50(Predicted)
- form
- Crystalline Powder
- color
- White
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29299090 · 29299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29299090
- safety_code
- 24/25
Chemistry & industry
Applications
UsesTABS (N-Tris(hydroxymethyl)methyl-4-aminobutanesulfonic acid) is a zwitterionic chemical buffering agent, is broadly applied in cell culture[1].
Additional notes
DefinitionChEBI: N-tris(hydroxymethyl)methyl-4-aminobutanesulfonic acid is an organosulfonic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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