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

CAS: 1314937-87-5 Cat. No.: E173333 Formule: C₆H₁₀ClN Poids moléculaire: 131.6 Numéro CE: 827-322-1

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C#CC1CCCN1.Cl

Poids moléculaire

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
    • Classe Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1314937-87-5, the molecular formula is C6H10ClN, and the molecular weight is 131.6 g/mol. InChIKey JCPYAASBKIGFSE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.