Taurine-1,1,2,2-d₄ - ≥98 atom% D,≥95% , CAS No.342611-14-7

CAS: 342611-14-7 Cat. No.: T474176 Molecular Weight: 129.17 EC Number: 636-448-4 PubChem CID: 49849888

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

Taurine-d4 | MS-22773 | D98822 | 2-AMINOETHANESULFONIC ACID-D4 | Taurine-1,1,2,2-d4, 99 atom % D, 98% (CP) | 2-Amino(~2~H_4_)ethane-1-sulfonic acid | HY-B0351S | DTXSID50678733 | 2-AMINOETHANE-D4-SULFONIC ACID | 1-Aminoethane-2-sulfonic Acid-d4 | J-019532

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

Taurine-d4 | MS-22773 | D98822 | 2-AMINOETHANESULFONIC ACID-D4 | Taurine-1, 1, 2, 2-d4, 99 atom % D, 98% (CP) | 2-Amino(~2~H_4_)ethane-1-sulfonic acid | HY-B0351S | DTXSID50678733 | 2-AMINOETHANE-D4-SULFONIC ACID | 1-Aminoethane-2-sulfonic Acid-d4 | J-019532

Specifications & Purity

≥98 atom% D, ≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥95%

Names and Identifiers

• Pubchem Sid: 504770950
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770950
• Canonical Smiles: C(CS(=O)(=O)O)N
• IUPAC Name: 2-amino-1,1,2,2-tetradeuterioethanesulfonic acid
• InChIKey: XOAAWQZATWQOTB-LNLMKGTHSA-N
• INCHI: 1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1D2,2D2
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])S(=O)(=O)O)N
• RTECS: WX0175000
• PubChem CID: 49849888
• Molecular Weight: 129.17

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 Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Amine - 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: DMSO (Slightly, Heated, Sonicated), Ethyl Acetate (Slightly), Water
• Sensitivity: Light sensitive；Moisture sensitive
• Refractive Index: n20D1.52 (Predicted)
• Melt Point(°C): >300°C (dec.)
• Molecular Weight: 129.169 g/mol
• XLogP3: -4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 129.04 Da
• Monoisotopic Mass: 129.04 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 120.000
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1