4-Ethoxypiperidine hydrochloride - ≥98% , CAS No.1122-87-8

CAS: 1122-87-8 Cat. No.: E179456 分子式: C₇H₁₆ClNO 分子量: 165.66 EC番号: 819-445-4

GRADE & PURITY ≥98%

Synonyms

A802541 | 4-ethoxypiperidine Hydrochloride | 4-Ethoxy-piperidine hydrochloride | AB30382 | 4-ethoxypiperidine;hydrochloride | FT-0677394 | BCP11334 | D95786 | DTXSID50467700 | AKOS005110940 | 4-Ethoxypiperidine, HCl | SCHEMBL2775512 | FS-5143 | MFCD068045

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

同義語

A802541 | 4-ethoxypiperidine Hydrochloride | 4-Ethoxy-piperidine hydrochloride | AB30382 | 4-ethoxypiperidine;hydrochloride | FT-0677394 | BCP11334 | D95786 | DTXSID50467700 | AKOS005110940 | 4-Ethoxypiperidine, HCl | SCHEMBL2775512 | FS-5143 | MFCD068045

仕様と純度

≥98%

保管条件

Room temperature,Argon charged,Desiccated

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCOC1CCNCC1.Cl
• IUPAC Name: 4-ethoxypiperidine;hydrochloride
• InChIKey: PJHAUBFOPBCASB-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO.ClH/c1-2-9-7-3-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
• 異性体SMILES: CCOC1CCNCC1.Cl
• 分子量: 165.66
• Reaxy-Rn: 14469756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14469756&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• 説明: 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: 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

化学的性質と物理的性質

• 分子量: 165.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.092 Da
• Monoisotopic Mass: 165.092 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 69.300
• 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