bis(methoxycarbonyl)methylidene-imino-azanium - ≥96% , CAS No.6773-29-1

CAS: 6773-29-1 Cat. No.: B304353 Molecular Weight: 158.11

GRADE & PURITY ≥96%

Synonyms

Dimethyl diazomalonate|6773-29-1|dimethyl 2-diazomalonate|dimethyl 2-diazopropanedioate|Methyl diazomalonate|Propanedioic acid,2-diazo-, 1,3-dimethyl ester|Diazomalonic acid methyl ester|DimethylDiazomalonate|Propanedioic acid, diazo-, dimethyl ester|Diaz

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Dimethyl diazomalonate | 6773-29-1 | dimethyl 2-diazomalonate | dimethyl 2-diazopropanedioate | Methyl diazomalonate | Propanedioic acid, 2-diazo-, 1, 3-dimethyl ester | Diazomalonic acid methyl ester | DimethylDiazomalonate | Propanedioic acid, diazo-, dimethyl ester | Diaz

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504759211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759211
• Canonical Smiles: COC(=O)C(=[N+]=[N-])C(=O)OC
• IUPAC Name: dimethyl 2-diazopropanedioate
• InChIKey: UFAZHCVBGMSJHS-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O4/c1-10-4(8)3(7-6)5(9)11-2/h1-2H3
• Isomeric SMILES: COC(=O)C(=[N+]=[N-])C(=O)OC
• Molecular Weight: 158.11
• Reaxy-Rn: 1779718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1779718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Vinylogous esters Vinylogous acids Methyl esters Enoate esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: 158.110 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 158.033 Da
• Monoisotopic Mass: 158.033 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 211.000
• 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