GRADE & PURITY ≥97%

Synonyms

SB15995 | 2-ethynylpyrrolidine;hydrochloride | AKOS006381194 | Pyrrolidine, 2-ethynyl-, hydrochloride (1:1) | 2-ethynylpyrrolidine hydrochloride | Z1203832764 | SB47216 | SCHEMBL4189693 | 2-Ethynylpyrrolidine HCl | 1314937-87-5 | F2167-2863 | P15993 | SY3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SB15995 | 2-ethynylpyrrolidine;hydrochloride | AKOS006381194 | Pyrrolidine, 2-ethynyl-, hydrochloride (1:1) | 2-ethynylpyrrolidine hydrochloride | Z1203832764 | SB47216 | SCHEMBL4189693 | 2-Ethynylpyrrolidine HCl | 1314937-87-5 | F2167-2863 | P15993 | SY3

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C#CC1CCCN1.Cl
• IUPAC Name: 2-ethynylpyrrolidine;hydrochloride
• InChIKey: JCPYAASBKIGFSE-UHFFFAOYSA-N
• INCHI: 1S/C6H9N.ClH/c1-2-6-4-3-5-7-6;/h1,6-7H,3-5H2;1H
• Isomeric SMILES: C#CC1CCCN1.Cl
• Molecular Weight: 131.6
• Reaxy-Rn: 18970922
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18970922&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Azacyclic compounds Acetylides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - 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 pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four 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

Chemical and Physical Properties

• Molecular Weight: 131.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 131.05 Da
• Monoisotopic Mass: 131.05 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Chunxiao Sui, Rui Tan, Zifan Liu, Xiaofeng Li, Wengui Xu.  (2022)  Smart Chemical Oxidative Polymerization Strategy To Construct Au@PPy Core–Shell Nanoparticles for Cancer Diagnosis and Imaging-Guided Photothermal Therapy.  BIOCONJUGATE CHEMISTRY,      [PMID:36516477] [10.1021/acs.bioconjchem.2c00549]