N-[Tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acid - ≥99% , CAS No.68399-81-5

CAS: 68399-81-5 Cat. No.: T113029 Molecular Weight: 259.28 Beilstein Registry Number: 2113949 EC Number: 269-993-8 PubChem CID: 109334

GRADE & PURITY ≥99%

Synonyms

TAPSO | 3-[N-Tris-(hydroxymethyl)methylamino]-2-hydroxypropanesulphonic acid | 3-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)-2-hydroxypropane-1-sulfonic acid | N-[Tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acid | (+/-)-N-(TRIS(HYD

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

A biological buffer (zwitterionic) typically referred to as Good’s buffer useful in cell culture media formulations. Biological buffer - useful range 7.0-8.2.

Specifications

Synonyms

TAPSO | 3-[N-Tris-(hydroxymethyl)methylamino]-2-hydroxypropanesulphonic acid | 3-((1, 3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)-2-hydroxypropane-1-sulfonic acid | N-[Tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acid | (+/-)-N-(TRIS(HYD

Specifications & Purity

≥99%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C(C(CS(=O)(=O)O)O)NC(CO)(CO)CO
• IUPAC Name: 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid
• InChIKey: RZQXOGQSPBYUKH-UHFFFAOYSA-N
• INCHI: 1S/C7H17NO7S/c9-3-7(4-10,5-11)8-1-6(12)2-16(13,14)15/h6,8-12H,1-5H2,(H,13,14,15)
• Isomeric SMILES: C(C(CS(=O)(=O)O)O)NC(CO)(CO)CO
• WGK Germany: 3
• PubChem CID: 109334
• Molecular Weight: 259.28
• Beilstein: 2113949
• Reaxy-Rn: 2113949

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in Water almost transparency
• Molecular Weight: 259.279 g/mol
• XLogP3: -6.400
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 259.073 Da
• Monoisotopic Mass: 259.073 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1