Ethanol, 2-[2-(2-azidoethoxy)ethoxy]-, 1-methanesulfonate , CAS No.176520-24-4

CAS: 176520-24-4 Cat. No.: E1237282 分子式: C₇H₁₅N₃O₅S 分子量: 253.28

Storage

Room temperature

Shipped In

Normal

Specifications

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: CS(=O)(=O)OCCOCCOCCN=[N+]=[N-]
• IUPAC Name: 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate
• InChIKey: ZOOKULHFCBIPIO-UHFFFAOYSA-N
• INCHI: 1S/C7H15N3O5S/c1-16(11,12)15-7-6-14-5-4-13-3-2-9-10-8/h2-7H2,1H3
• 分子量: 253.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acid esters
• Alternative Parents: Sulfonic acid esters Sulfonyls Methanesulfonates Azo imides Azo compounds Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Azo compound - Azo imide - Dialkyl ether - Ether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic cation - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H).
• 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

化学的性質と物理的性質

• 分子量: 253.280 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 253.073 Da
• Monoisotopic Mass: 253.073 Da
• Topological Polar Surface Area: 84.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 306.000
• 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