MOPS sodium salt - anhydrous, ≥99.5% , CAS No.71119-22-7

CAS: 71119-22-7 Cat. No.: M433369 Molecular Weight: 231.25 EC Number: 428-420-3

GRADE & PURITY Anhydrous Grade, ≥99.5%

Synonyms

AS-14495 | 3-Morpholinopropanesulfonic Acid Sodium Salt | MOPS, Sodium | MFCD00064350 | 3-(4-Morpholino)propanesulfonic acid sodium salt | DTXSID3072246 | F20322 | SY061683 | 4-Morpholinepropanesulfonic acid sodium salt | 4-Morpholinepropanesulfonic acid,

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

AS-14495 | 3-Morpholinopropanesulfonic Acid Sodium Salt | MOPS, Sodium | MFCD00064350 | 3-(4-Morpholino)propanesulfonic acid sodium salt | DTXSID3072246 | F20322 | SY061683 | 4-Morpholinepropanesulfonic acid sodium salt | 4-Morpholinepropanesulfonic acid,

Specifications & Purity

anhydrous, ≥99.5%

Storage

Room temperature, Desiccated

Shipped In

Normal

Grade

Anhydrous Grade

Purity

≥99.5%

Names and Identifiers

• Canonical Smiles: C1COCCN1CCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;3-morpholin-4-ylpropane-1-sulfonate
• InChIKey: MWEMXEWFLIDTSJ-UHFFFAOYSA-M
• INCHI: 1S/C7H15NO4S.Na/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h1-7H2,(H,9,10,11);/q;+1/p-1
• Isomeric SMILES: C1COCCN1CCCS(=O)(=O)[O-].[Na+]
• WGK Germany: 1
• Molecular Weight: 231.25
• Reaxy-Rn: 14649451
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14649451&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic sodium salt - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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: water: 33% (w/w), clear, colorless
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 260° dec.
• Molecular Weight: 231.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 231.054 Da
• Monoisotopic Mass: 231.054 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• 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: 2

XLogP3

References

1. Jinyuan Wang, Xia Sun, Jixuan Xu, Lin Liu, Peng Lin, Xiaofang Luo, Yan Gao, Junpeng Shi, Yun Zhang.  (2024)  X-ray activated near-infrared persistent luminescence nanoparticles for trimodality in vivo imaging.  Biomaterials Science,      [PMID:38881248] [10.1039/D4BM00395K]