4-ethynylpiperidine hydrochloride - ≥97% , CAS No.550378-30-8

CAS: 550378-30-8 Cat. No.: E176768 Formule: C₇H₁₂ClN Poids moléculaire: 145.63 Numéro CE: 822-807-4

GRADE & PURITY ≥97%

Synonyms

MFCD18910999 | Piperidine, 4-ethynyl-, hydrochloride | EN300-261173 | F2167-2865 | 4-Ethynylpiperidinehydrochloride | Z2418193722 | AMY33844 | DTXSID90744906 | SCHEMBL3769137 | AXA37830 | 4-Ethynylpiperidine HCl | A870292 | SY097779 | WZKLBUYGIBQZPJ-UHFFF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

MFCD18910999 | Piperidine, 4-ethynyl-, hydrochloride | EN300-261173 | F2167-2865 | 4-Ethynylpiperidinehydrochloride | Z2418193722 | AMY33844 | DTXSID90744906 | SCHEMBL3769137 | AXA37830 | 4-Ethynylpiperidine HCl | A870292 | SY097779 | WZKLBUYGIBQZPJ-UHFFF

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 528759971
• Sourires canoniques: C#CC1CCNCC1.Cl
• IUPAC Name: 4-ethynylpiperidine;hydrochloride
• InChIKey: WZKLBUYGIBQZPJ-UHFFFAOYSA-N
• INCHI: 1S/C7H11N.ClH/c1-2-7-3-5-8-6-4-7;/h1,7-8H,3-6H2;1H
• Isomères SMILES: C#CC1CCNCC1.Cl
• CAS alternatif: 738577-08-7
• Poids moléculaire: 145.63
• Reaxy-Rn: 9718721
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9718721&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Acetylides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Acetylide - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - 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: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 145.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.066 Da
• Monoisotopic Mass: 145.066 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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

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