Ethyl (E)-3-(1-pyrrolidinyl)crotonate - ≥99% , CAS No.54716-02-8

CAS: 54716-02-8 Cat. No.: E170928 Summenformel: C₁₀H₁₇NO₂ Molekulargewicht: 183.25 Beilstein Registry Number: 1074390 EG-Nummer: 259-303-3

QUALITÄT & REINHEIT ≥99%

Synonyms

DTXSID701269080 | 2-Methyl-3-pyrrolizinopropenoic acid ethyl ester | A830342 | Ethyl(E)-3-(1-pyrrolidino)crotonate | (E)-Ethyl 3-(pyrrolidin-1-yl)but-2-enoate | BBL101128 | Ethyl 3-(1-pyrrolidinyl)crotonate | (2E)-3-(1-Pyrrolidinyl)-2-butenoic acid ethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

DTXSID701269080 | 2-Methyl-3-pyrrolizinopropenoic acid ethyl ester | A830342 | Ethyl(E)-3-(1-pyrrolidino)crotonate | (E)-Ethyl 3-(pyrrolidin-1-yl)but-2-enoate | BBL101128 | Ethyl 3-(1-pyrrolidinyl)crotonate | (2E)-3-(1-Pyrrolidinyl)-2-butenoic acid ethyl

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504760047

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760047

Kanonisches Lächeln

CCOC(=O)C=C(C)N1CCCC1

IUPAC Name

ethyl (E)-3-pyrrolidin-1-ylbut-2-enoate

InChIKey

MSOQKPXSIHLODG-CMDGGOBGSA-N

INCHI

1S/C10H17NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b9-8+

Isomere SMILES

CCOC(=O)/C=C(\C)/N1CCCC1

WGK Deutschland

3

Molekulargewicht

183.25

Beilstein

1074390

Reaxy-Rn

1310113

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1310113&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: Vinylogous amides Pyrrolidines Enoate esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Pyrrolidine - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic 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

• Brechungsindex: 1.5410
• Siedepunkt (°C): 125-126°/0.8mm
• Molekulargewicht: 183.250 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 183.126 Da
• Monoisotopic Mass: 183.126 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 54716-02-8, the molecular formula is C10H17NO2, and the molecular weight is 183.25 g/mol. InChIKey MSOQKPXSIHLODG-CMDGGOBGSA-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.