MOPS hemisodium salt - ≥95% , CAS No.117961-20-3

CAS: 117961-20-3 Cat. No.: M597686 Summenformel: C₇H_14.5NO₄S·0.5Na Molekulargewicht: 220.25 PubChem CID: 23702141

GRADE & PURITY ≥95%

Synonyms

MOPS hemisodium salt | 4-Morpholinepropanesulfonicacid, sodium salt (2:1) | FT-0717812 | A893234 | sodium;3-morpholin-4-ylpropane-1-sulfonate;3-morpholin-4-ylpropane-1-sulfonic acid | 4-Morpholinepropanesulfonic acid hemisodium salt | J-003686 | sodium 3-

Storage

Room temperature

Shipped In

Normal

Übersicht

useful pH range 6.5 - 7.9 pKa (25 °C) 7.2

Specifications

Synonyme

MOPS hemisodium salt | 4-Morpholinepropanesulfonicacid, sodium salt (2:1) | FT-0717812 | A893234 | sodium;3-morpholin-4-ylpropane-1-sulfonate;3-morpholin-4-ylpropane-1-sulfonic acid | 4-Morpholinepropanesulfonic acid hemisodium salt | J-003686 | sodium 3-

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528758198

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758198

Kanonisches Lächeln

C1COCCN1CCCS(=O)(=O)O.C1COCCN1CCCS(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;3-morpholin-4-ylpropane-1-sulfonate;3-morpholin-4-ylpropane-1-sulfonic acid

InChIKey

OVCWZKQPQOVIDT-UHFFFAOYSA-M

INCHI

1S/2C7H15NO4S.Na/c2*9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h2*1-7H2,(H,9,10,11);/q;;+1/p-1

Isomere SMILES

C1COCCN1CCCS(=O)(=O)O.C1COCCN1CCCS(=O)(=O)[O-].[Na+]

WGK Deutschland

3

PubChem CID

23702141

Molekulargewicht

220.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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: Not available
• 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: water: 500 mg/mL, clear, colorless to almost colorless
• Molekulargewicht: 440.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 440.126 Da
• Monoisotopic Mass: 440.126 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 460.000
• 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: 3

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