Diethyl 1,2-hydrazinedicarboxylate - ≥98% , CAS No.4114-28-7

CAS: 4114-28-7 Cat. No.: D339764 Peso molecular: 176.17

GRADE & PURITY ≥98%

Synonyms

Diethyl 1,2-hydrazinedicarboxylate, 97% | SR-01000512674-1 | Diethyl hydrazodicarboxylate | Diethyl sym-hydrazinedicarboxylate | N,N'-Diethoxycarbonylhydrazine | Ethyl hydrazoformate | 1,2-Bis(ethoxycarbonyl)hydrazine | Benzenesulfonamide, 4-amino-N-(5-ch

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Diethyl 1, 2-hydrazinedicarboxylate, 97% | SR-01000512674-1 | Diethyl hydrazodicarboxylate | Diethyl sym-hydrazinedicarboxylate | N, N'-Diethoxycarbonylhydrazine | Ethyl hydrazoformate | 1, 2-Bis(ethoxycarbonyl)hydrazine | Benzenesulfonamide, 4-amino-N-(5-ch

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185459
• Sonrisas canónicas: CCOC(=O)NNC(=O)OCC
• IUPAC Name: ethyl N-(ethoxycarbonylamino)carbamate
• InChIKey: JXMLAPZRDDWRRV-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
• Isómeros SMILES: CCOC(=O)NNC(=O)OCC
• WGK Alemania: 3
• Peso molecular: 176.17
• Reaxy-Rn: 1781585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781585&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 250° C (lit.)
• Punto de fusión (°C): 131-133° C (lit.)
• Peso molecular: 176.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 176.08 Da
• Monoisotopic Mass: 176.08 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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