1-(2-Ethoxycarbonylethyl)azetidine - ≥97% , CAS No.7730-42-9

CAS: 7730-42-9 Cat. No.: E119376 Fórmula: C₈H₁₅NO₂ Peso molecular: 157.21 Beilstein Registry Number: 1307497 Número CE: 621-595-9

GRADE & PURITY ≥97%

Synonyms

ethyl 3-(azetidin-1-yl)propanoate|7730-42-9|Ethyl 3-(azetidin-1-yl)propionate|1-(2-Carbethoxyethyl)azetidine|ethyl 3-azetidin-1-ylpropanoate|1-Azetidinepropanoic acid, ethyl ester|MFCD00013329|Ethyl 3-(1-azetidinyl)propionate|Ethyl3-(azetidin-1-yl)propano

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

ethyl 3-(azetidin-1-yl)propanoate | 7730-42-9 | Ethyl 3-(azetidin-1-yl)propionate | 1-(2-Carbethoxyethyl)azetidine | ethyl 3-azetidin-1-ylpropanoate | 1-Azetidinepropanoic acid, ethyl ester | MFCD00013329 | Ethyl 3-(1-azetidinyl)propionate | Ethyl3-(azetidin-1-yl)propano

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: CCOC(=O)CCN1CCC1
• IUPAC Name: ethyl 3-(azetidin-1-yl)propanoate
• InChIKey: JHEBCRMYKMBVBX-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO2/c1-2-11-8(10)4-7-9-5-3-6-9/h2-7H2,1H3
• SMILES isoméricas: CCOC(=O)CCN1CCC1
• WGK Alemanha: 2
• Peso molecular: 157.21
• Beilstein: 1307497
• Reaxy-Rn: 1307497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1307497&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azetidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidines
• Alternative Parents: Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Amino acid or derivatives - Azetidine - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as azetidines. These are organic compounds containing a saturated four-member heterocycle where one nitrogen atom replaces a carbon atom.
• 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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.441(lit.)
• Ponto de inflamação (°F): 176 °F
• Ponto de inflamação (°C): 80 °C
• Ponto de ebulição (°C): 86-87°C/12mmHg
• Peso molecular: 157.210 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 157.11 Da
• Monoisotopic Mass: 157.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• 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