1-Ethylpiperidine - ≥98% , CAS No.766-09-6

CAS: 766-09-6 Cat. No.: E110307 Formula: C₇H₁₅N Molecular Weight: 113.2 Beilstein Registry Number: 102643 EC Number: 212-161-6

GRADE & PURITY ≥98%

Synonyms

N-ETHYLPIPERIDINE | NSC 2090 | MFCD00006507 | 1-Ethylpiperidine | 1-ethyl-piperidine | AMY23165 | EINECS 212-161-6 | InChI=1/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H | Q22829159 | 1-Ethylpiperidine, 99% | UNII-7IE43L0926 | N-Ethyl piperidine | NSC2090 | NSC-20

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Reactant for: Synthesis of multiprotected kanosamine Selective acylation in peptide synthesis Reagent for: Stereoselective aldol condensation reactions for synthesis of β-lactam antibiotics Diastereoselective synthesis of aldols Crossed Claisen ester condensation

Specifications

Synonyms

N-ETHYLPIPERIDINE | NSC 2090 | MFCD00006507 | 1-Ethylpiperidine | 1-ethyl-piperidine | AMY23165 | EINECS 212-161-6 | InChI=1/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H | Q22829159 | 1-Ethylpiperidine, 99% | UNII-7IE43L0926 | N-Ethyl piperidine | NSC2090 | NSC-20

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181766
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181766
• Canonical Smiles: CCN1CCCCC1
• IUPAC Name: 1-ethylpiperidine
• InChIKey: HTLZVHNRZJPSMI-UHFFFAOYSA-N
• INCHI: 1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3
• Isomeric SMILES: CCN1CCCCC1
• WGK Germany: 1
• RTECS: TN0250000
• UN Number: 2386
• Packing Group: II
• Molecular Weight: 113.2
• Beilstein: 102643
• Reaxy-Rn: 102643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102643&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• External Descriptors: piperidines

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 1-ethylpiperidine salt of benzylpenicillin is considerably less soluble in amyl acetate and acetone.
• Sensitivity: air sensitive
• Refractive Index: 1.444
• Flash Point(°F): 62.6 °F
• Flash Point(°C): 17 °C
• Boil Point(°C): 131°C
• Molecular Weight: 113.200 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 113.12 Da
• Monoisotopic Mass: 113.12 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• 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

References

1. Yunfei Yang, Yixin Xu, Niya Ye, Dengji Zhang, Jingshuai Yang, Ronghuan He.  (2018)  Alkali Resistant Anion Exchange Membranes Based on Saturated Heterocyclic Quaternary Ammonium Cations Functionalized Poly(2,6-dimethyl-1,4-phenylene oxide)s.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  165  (5): (F350).  [PMID:] [10.1149/2.1031805jes]