Ethyl 2-cyanobutanoate - ≥98% , CAS No.1619-58-5

CAS: 1619-58-5 Cat. No.: E191294 Summenformel: C₇H₁₁NO₂ Molekulargewicht: 141.17 EG-Nummer: 630-887-5

GRADE & PURITY ≥98%

Synonyms

2-cyano-butyric acid ethyl ester | UNII-HC5NP58RS6 | 2-CYANOBUTYRIC ACID, ETHYL ESTER | SCHEMBL10920266 | Butanoic acid, 2-cyano-, ethyl ester | Butyric acid, alpha-cyano-, Et ester | AKOS011113241 | EN300-58905 | Butyric acid, 2-cyano-, ethyl ester | AB1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-cyano-butyric acid ethyl ester | UNII-HC5NP58RS6 | 2-CYANOBUTYRIC ACID, ETHYL ESTER | SCHEMBL10920266 | Butanoic acid, 2-cyano-, ethyl ester | Butyric acid, alpha-cyano-, Et ester | AKOS011113241 | EN300-58905 | Butyric acid, 2-cyano-, ethyl ester | AB1

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCC(C#N)C(=O)OCC
• IUPAC Name: ethyl 2-cyanobutanoate
• InChIKey: FCISHUHNFYJJDU-UHFFFAOYSA-N
• INCHI: 1S/C7H11NO2/c1-3-6(5-8)7(9)10-4-2/h6H,3-4H2,1-2H3
• Isomere SMILES: CCC(C#N)C(=O)OCC
• Molekulargewicht: 141.17
• Reaxy-Rn: 385926
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385926&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 141.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 141.079 Da
• Monoisotopic Mass: 141.079 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1619-58-5, the molecular formula is C7H11NO2, and the molecular weight is 141.17 g/mol. InChIKey FCISHUHNFYJJDU-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.