MOPS - UltraBio™, Ultra pure, ≥99.5%(T) , CAS No.1132-61-2

CAS: 1132-61-2 Cat. No.: M475317 Formula: C₇H₁₅NO₄S Molecular Weight: 209.26 Beilstein Registry Number: 1106776 EC Number: 214-478-5

GRADE & PURITY UltraBio™, Ultra pure, ≥99.5%(T)

Synonyms

4-Morpholinepropanesulfonic acid | BBL010801 | MOPS | NCGC00255922-01 | Q4030654 | 3-Morpholinopropane-1-sulfonic acid | 3-(morpholin-4-yl)propane-1-sulfonic acid (MOPS) | MFCD11100867 | MOPS, BioUltra, for molecular biology, >=99.5% (T) | 3-(4-Morpholin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Morpholinepropanesulfonic acid | BBL010801 | MOPS | NCGC00255922-01 | Q4030654 | 3-Morpholinopropane-1-sulfonic acid | 3-(morpholin-4-yl)propane-1-sulfonic acid (MOPS) | MFCD11100867 | MOPS, BioUltra, for molecular biology, >=99.5% (T) | 3-(4-Morpholin

Specifications & Purity

UltraBio™, Ultra pure, ≥99.5%(T)

Storage

Room temperature

Shipped In

Normal

Grade

Ultra pure, UltraBio™

Purity

≥99.5%(T)

Names and Identifiers

Pubchem Sid

528758394

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758394

Canonical Smiles

C1COCCN1CCCS(=O)(=O)O

IUPAC Name

3-morpholin-4-ylpropane-1-sulfonic acid

InChIKey

DVLFYONBTKHTER-UHFFFAOYSA-N

INCHI

1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)

Isomeric SMILES

C1COCCN1CCCS(=O)(=O)O

WGK Germany

1

RTECS

QE9104530

Molecular Weight

209.26

Beilstein

1106776

Reaxy-Rn

1106776

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1106776&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: an aliphatic sulfonate

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: H2O: 1M, clear, colorless
• Flash Point(°F): 116°C
• Flash Point(°C): 116°C
• Melt Point(°C): 277-282°C
• Molecular Weight: 209.270 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.072 Da
• Monoisotopic Mass: 209.072 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 227.000
• 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