Taxonomic Classification

Taxonomy Tree

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
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	131.600 g/mol
XLogP3
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 Å²
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

Citations of This Product

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]

Solution Calculators

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Reviews

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=

2-ethynylpyrrolidine hydrochloride - ≥97% , CAS No.1314937-87-5

Specifications