DIPSO sodium salt - ≥98% , CAS No.102783-62-0

CAS: 102783-62-0 Cat. No.: D113001 Fórmula: C₇H₁₆NO₆SNa Peso molecular: 265.26

GRADE & PURITY ≥98%

Synonyms

AKOS015903728 | DTXSID40635431 | E78391 | AKOS025310632 | DIPSOSODIUMSALT | DIPSO sodium salt, >=99% (titration) | DIPSO sodium salt | FT-0708058 | SCHEMBL9935687 | Sodium 3-(bis(2-hydroxyethyl)amino)-2-hydroxypropane-1-sulfonate | sodium;3-[bis(2-hydroxy

Storage

Room temperature

Shipped In

Normal

Descripción general

useful pH range 7.0 - 8.2 pKa (25 °C) 7.6

Specifications

Sinónimos

AKOS015903728 | DTXSID40635431 | E78391 | AKOS025310632 | DIPSOSODIUMSALT | DIPSO sodium salt, >=99% (titration) | DIPSO sodium salt | FT-0708058 | SCHEMBL9935687 | Sodium 3-(bis(2-hydroxyethyl)amino)-2-hydroxypropane-1-sulfonate | sodium;3-[bis(2-hydroxy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504769540

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769540

Sonrisas canónicas

C(CO)N(CCO)CC(CS(=O)(=O)[O-])O.[Na+]

IUPAC Name

sodium;3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonate

InChIKey

UASJMJKAMKICKL-UHFFFAOYSA-M

INCHI

1S/C7H17NO6S.Na/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14;/h7,9-11H,1-6H2,(H,12,13,14);/q;+1/p-1

Isómeros SMILES

C(CO)N(CCO)CC(CS(=O)(=O)[O-])O.[Na+]

WGK Alemania

3

Peso molecular

265.26

Reaxy-Rn

19235694

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19235694&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Trialkylamines Secondary alcohols 1,2-aminoalcohols Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 265.260 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 265.06 Da
• Monoisotopic Mass: 265.06 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 248.000
• 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: 2

XLogP3