MES monohydrate - Ultra pure , CAS No.145224-94-8

CAS: 145224-94-8 Cat. No.: M274288 Molecular Weight: 213.25 Beilstein Registry Number: 6350956 EC Number: 630-505-7

GRADE & PURITY Ultra pure

Synonyms

DS-13905 | MES hydrate, >=99.5% (titration) | MES monohydrate, BioXtra, >=99.0% (T) | MES monohydrate, p.a., 99% | MES hydrate, BioUltra, >=99.5% (T) | SCHEMBL12037460 | MES monohydrate, Vetec(TM) reagent grade, 99% | MES monohydrate | 2-(N-Morpholino)eth

Storage

Room temperature

Shipped In

Normal

Overview

Biological buffers are useful for cell culture in vitro, enzyme assays, and some electrophoretic applications at physiological pH.

Specifications

Synonyms

DS-13905 | MES hydrate, >=99.5% (titration) | MES monohydrate, BioXtra, >=99.0% (T) | MES monohydrate, p.a., 99% | MES hydrate, BioUltra, >=99.5% (T) | SCHEMBL12037460 | MES monohydrate, Vetec(TM) reagent grade, 99% | MES monohydrate | 2-(N-Morpholino)eth

Specifications & Purity

Ultra pure

Storage

Room temperature

Shipped In

Normal

Grade

Ultra pure

Names and Identifiers

• Canonical Smiles: C1COCCN1CCS(=O)(=O)O.O
• IUPAC Name: 2-morpholin-4-ylethanesulfonic acid;hydrate
• InChIKey: MIIIXQJBDGSIKL-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO4S.H2O/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);1H2
• Isomeric SMILES: C1COCCN1CCS(=O)(=O)O.O
• WGK Germany: 3
• Alternate CAS: 1266615-59-1
• Molecular Weight: 213.25
• Beilstein: 6350956
• Reaxy-Rn: 6350956
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6350956&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 Organopnictogen compounds 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 - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - 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: Soluble in water
• Melt Point(°C): ca 308° dec.
• Molecular Weight: 213.250 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 213.067 Da
• Monoisotopic Mass: 213.067 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214.000
• 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

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