MES Buffered Solution - 0.05M,pH6.7, With 0.001M EDTA , CAS No.4432-31-9

CAS: 4432-31-9 Cat. No.: M301885 Formula: C₆H₁₃NO₄S Molecular Weight: 195.24 Beilstein Registry Number: 141319 EC Number: 224-632-3

GRADE & PURITY 0.05M,pH6.7, With 0.001M EDTA

Synonyms

Morpholineethanesulfonic acid | Phenol, o-phenoxy- | SCHEMBL6200 | W-106203 | MES, low moisture content, >=99% (titration) | 2-Propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride | 3,3,4,4-Biphenyltetracarboxylic Dianhydride | Q209294 | 2-(n-morp

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Morpholineethanesulfonic acid | Phenol, o-phenoxy- | SCHEMBL6200 | W-106203 | MES, low moisture content, >=99% (titration) | 2-Propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride | 3,3,4,4-Biphenyltetracarboxylic Dianhydride | Q209294 | 2-(n-morp

Specifications & Purity

0.05M,pH6.7, With 0.001M EDTA

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

PH

6.65-6.75

Canonical Smiles

C1COCCN1CCS(=O)(=O)O

IUPAC Name

2-morpholin-4-ylethanesulfonic acid

InChIKey

SXGZJKUKBWWHRA-UHFFFAOYSA-N

INCHI

1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

Isomeric SMILES

C1COCCN1CCS(=O)(=O)O

WGK Germany

1

RTECS

QE3479500

Molecular Weight

195.24

Beilstein

141319

Reaxy-Rn

141319

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141319&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: organosulfonic acid - MES

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

Associated Targets(Human)

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in Water almost transparency
• Melt Point(°C): 316°C
• Molecular Weight: 195.240 g/mol
• XLogP3: -3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 195.057 Da
• Monoisotopic Mass: 195.057 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 12
• 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: 1