Ethyl 1-cyanocyclobutane-1-carboxylate - ≥98% , CAS No.28246-87-9

CAS: 28246-87-9 Cat. No.: E183415 Peso molecular: 153.18 Número EC: 800-047-4

GRADE & PURITY ≥98%

Synonyms

AKOS006230295 | A819384 | NSC122101 | NSC-122101 | MFCD04114273 | ethyl1-cyanocyclobutanecarboxylate | ethyl 1-cyanocyclobutane-1-carboxylate | AMY15971 | 1-cyano-cyclobutane-1-carboxylic acid ethyl ester | DTXSID00298268 | Cyclobutanecarboxylic acid, 1-c

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006230295 | A819384 | NSC122101 | NSC-122101 | MFCD04114273 | ethyl1-cyanocyclobutanecarboxylate | ethyl 1-cyanocyclobutane-1-carboxylate | AMY15971 | 1-cyano-cyclobutane-1-carboxylic acid ethyl ester | DTXSID00298268 | Cyclobutanecarboxylic acid, 1-c

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1(CCC1)C#N
• IUPAC Name: ethyl 1-cyanocyclobutane-1-carboxylate
• InChIKey: VPAQDMAYKQBDLT-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-5H2,1H3
• Isómeros SMILES: CCOC(=O)C1(CCC1)C#N
• Peso molecular: 153.18
• Reaxy-Rn: 1947333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947333&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

• Peso molecular: 153.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 209.000
• 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