Hidrazidodicarboxilato de metilo - ≥99% , CAS No.17643-54-8

CAS: 17643-54-8 Cat. No.: M696976 Fórmula: C₄H₈N₂O₄ Peso molecular: 148.12 Número CE: 859-184-3 PubChem CID: 265934

GRADE & PURITY ≥99%

Storage

Room temperature

Specifications

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: COC(=O)NNC(=O)OC
• IUPAC Name: methyl N-(methoxycarbonylamino)carbamate
• InChIKey: BPJLPBVJCYVEAC-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O4/c1-9-3(7)5-6-4(8)10-2/h1-2H3,(H,5,7)(H,6,8)
• SMILES isoméricas: COC(=O)NNC(=O)OC
• PubChem CID: 265934
• Peso molecular: 148.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Hydrazinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Hydrazinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrazinecarboxylic acid esters
• Alternative Parents: Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrazinecarboxylic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydrazinecarboxylic acid esters. These are ester derivatives of hydrazinecarboxylic acids.
• 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

Propriedades químicas e físicas

• Peso molecular: 148.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 148.048 Da
• Monoisotopic Mass: 148.048 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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