Ethyl 4-piperidinebutyrate HCl - ≥95% , CAS No.473987-07-4

CAS: 473987-07-4 Cat. No.: E358260 Summenformel: C₁₁H₂₂ClNO₂ Molekulargewicht: 235.75

QUALITÄT & REINHEIT ≥95%

Synonyms

ETHYL 4-PIPERIDINEBUTYRATE HCL | 4-piperidin-4-yl-butyric acid ethyl ester hydrochloride, AldrichCPR | Ethyl 4-(piperidin-4-yl)butanoate--hydrogen chloride (1/1) | AS-37708 | Ethyl 4-piperidinebutyrate hydrochloride | AB52535 | ethyl 4-piperidin-4-ylbutan

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

ETHYL 4-PIPERIDINEBUTYRATE HCL | 4-piperidin-4-yl-butyric acid ethyl ester hydrochloride, AldrichCPR | Ethyl 4-(piperidin-4-yl)butanoate--hydrogen chloride (1/1) | AS-37708 | Ethyl 4-piperidinebutyrate hydrochloride | AB52535 | ethyl 4-piperidin-4-ylbutan

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)CCCC1CCNCC1.Cl

IUPAC Name

ethyl 4-piperidin-4-ylbutanoate;hydrochloride

InChIKey

NMPWYBAVVLQTIN-UHFFFAOYSA-N

INCHI

1S/C11H21NO2.ClH/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10;/h10,12H,2-9H2,1H3;1H

Isomere SMILES

CCOC(=O)CCCC1CCNCC1.Cl

Molekulargewicht

235.75

Reaxy-Rn

9292136

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9292136&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: Piperidines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid ester - Piperidine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Hydrochloride - Organic oxygen compound - 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

• Molekulargewicht: 235.750 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 235.134 Da
• Monoisotopic Mass: 235.134 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 165.000
• 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: 2

XLogP3