2,2-DiethoxyacetaMide - ≥95% , CAS No.61189-99-9

CAS: 61189-99-9 Cat. No.: B301337 Formula: C₆H₁₃NO₃ Molecular Weight: 147.17 Beilstein Registry Number: 1760414 EC Number: 262-647-7

GRADE & PURITY ≥95%

Synonyms

Glyoxylamide, diethyl acetal | NSC 363000 | 2,2-Diethoxyacetamide | FT-0640731 | 2,2-Diethoxyacetamide, 97% | MFCD00044023 | A868788 | AKOS005721176 | ZN8XXW4Z7U | BBL027994 | EINECS 262-647-7 | diethoxyacetamide | Glyoxylic amide diethyl acetal | NSC3630

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Glyoxylamide, diethyl acetal | NSC 363000 | 2,2-Diethoxyacetamide | FT-0640731 | 2,2-Diethoxyacetamide, 97% | MFCD00044023 | A868788 | AKOS005721176 | ZN8XXW4Z7U | BBL027994 | EINECS 262-647-7 | diethoxyacetamide | Glyoxylic amide diethyl acetal | NSC3630

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 528755115
• Canonical Smiles: CCOC(C(=O)N)OCC
• IUPAC Name: 2,2-diethoxyacetamide
• InChIKey: DSKGWFQMJHBHRT-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO3/c1-3-9-6(5(7)8)10-4-2/h6H,3-4H2,1-2H3,(H2,7,8)
• Isomeric SMILES: CCOC(C(=O)N)OCC
• WGK Germany: 3
• Molecular Weight: 147.17
• Beilstein: 1760414
• Reaxy-Rn: 1760414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Primary carboxylic acid amide - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• 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

• Melt Point(°C): 76-78°C
• Molecular Weight: 147.170 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 147.09 Da
• Monoisotopic Mass: 147.09 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.200
• 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