Ethyl carbazate - ≥97% , CAS No.4114-31-2

CAS: 4114-31-2 Cat. No.: E471055 Formula: C₃H₈N₂O₂ Peso molecolare: 104.11 Beilstein Registry Number: 3,98 Numero EC: 223-903-3

GRADE & PURITY ≥97%

Synonyms

Ethyl carbazate | Ethyl hydrazinecarboxylate | ethyl hydrazine-carboxylate | BBL027647 | D77690 | Carboethoxyhydrazine | DTXSID1063308 | EINECS 223-903-3 | ethylhydrazinecarboxylate | hydrazinoformic acid ethyl ester | 1-(Ethoxycarbonyl)hydrazine | ethyl

Storage

Room temperature

Specifications

Sinonimi

Ethyl carbazate | Ethyl hydrazinecarboxylate | ethyl hydrazine-carboxylate | BBL027647 | D77690 | Carboethoxyhydrazine | DTXSID1063308 | EINECS 223-903-3 | ethylhydrazinecarboxylate | hydrazinoformic acid ethyl ester | 1-(Ethoxycarbonyl)hydrazine | ethyl

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CCOC(=O)NN
• IUPAC Name: ethyl N-aminocarbamate
• InChIKey: VYSYZMNJHYOXGN-UHFFFAOYSA-N
• INCHI: 1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)
• Isomeri SMILES: CCOC(=O)NN
• WGK Germania: 3
• RTECS: FE2545000
• Peso molecolare: 104.11
• Beilstein: 3,98
• Reaxy-Rn: 878265
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878265&ln=

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 186°F
• Punto di infiammabilità (°C): 86°C
• Punto di ebollizione (°C): 108-110 °C/22 mmHg
• Punto di fusione (°C): 44-47°C
• Peso molecolare: 104.110 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.059 Da
• Monoisotopic Mass: 104.059 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.000
• 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

Riferimenti

1. Ming He, Jing Li, Jiajing Xu, Lukun Wu, Ning Li, Shuai Zhang.  (2024)  Dynamic Recyclable High-Performance Epoxy Resins via Triazolinedione–Indole Click Reaction and Cation–π Interaction Synergistic Crosslinking.  Polymers,  16  (13): (1900).  [PMID:39000754] [10.3390/polym16131900]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4114-31-2, the molecular formula is C3H8N2O2, and the molecular weight is 104.11 g/mol. InChIKey VYSYZMNJHYOXGN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.