MES hydrate - PharmPure™, Low Endotoxin, ≥99.5% , CAS No.1266615-59-1

CAS: 1266615-59-1 Cat. No.: GMP1527644 Molecular Weight: 195.24 (anhydrous basis) EC Number: 838-777-0

GRADE & PURITY PharmPure™, Low Endotoxin, ≥99.5%

Storage

Room temperature

Shipped In

Normal

Overview

PharmaGrade products are manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production. For more information on the PharmaGrade Program, visitAladdin.com/safc-pharmagrade.MES is a biological buffer often referred to as a “Good′s” buffer. The pKa of MES is 5.96 which makes MES an ideal candidate for medias and protein based buffer formulations to maintain a stable environment in solution. MES is considered to be non-toxic to culture cell lines, highly water soluble and provides high-solution clarity.MES is used in cell culture media, biopharmaceutical buffer formulations (both upstream and downstream), and diagnostic reagents. MES based buffers are used in purification bioprocesses of antibodies, peptides, proteins, blood components and growth factors.

Specifications

Specifications & Purity

PharmPure™, Low Endotoxin, ≥99.5%

Storage

Room temperature

Shipped In

Normal

Grade

Low Endotoxin, PharmPure™

Purity

≥99.5%

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
• Alternate CAS: 145224-94-8
• Molecular Weight: 195.24 (anhydrous basis)
• 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

• 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