2,5-Dihydro-1H-pyrrole hydrochloride - ≥95% , CAS No.63468-63-3

CAS: 63468-63-3 Cat. No.: D139123 Molecular Weight: 105.57 EC Number: 809-301-9

GRADE & PURITY ≥95%

Synonyms

2,5-dihydro-1H-pyrrole Hydrochloride | 2,5-Dihydro-1H-pyrrole hydrochloride, AldrichCPR | J-507346 | FT-0646416 | AKOS015900015 | SCHEMBL504814 | 3-(2-IODOPHENYLAMINO)PROPANOICACID | 2,5-DIHYDRO-1H-PYRROLE HCL | DTXSID00470466 | AKOS025243929 | EN300-2062

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 5-dihydro-1H-pyrrole Hydrochloride | 2, 5-Dihydro-1H-pyrrole hydrochloride, AldrichCPR | J-507346 | FT-0646416 | AKOS015900015 | SCHEMBL504814 | 3-(2-IODOPHENYLAMINO)PROPANOICACID | 2, 5-DIHYDRO-1H-PYRROLE HCL | DTXSID00470466 | AKOS025243929 | EN300-2062

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488197656
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197656
• Canonical Smiles: C1C=CCN1.Cl
• IUPAC Name: 2,5-dihydro-1H-pyrrole;hydrochloride
• InChIKey: GBGHNSYFGCVGDX-UHFFFAOYSA-N
• INCHI: 1S/C4H7N.ClH/c1-2-4-5-3-1;/h1-2,5H,3-4H2;1H
• Isomeric SMILES: C1C=CCN1.Cl
• Molecular Weight: 105.57
• Reaxy-Rn: 3674860
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3674860&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolines
• Alternative Parents: Quaternary ammonium salts Dialkylamines Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Quaternary ammonium salt - Pyrroline - Azacycle - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring 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

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 170-174℃
• Molecular Weight: 105.560 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 105.035 Da
• Monoisotopic Mass: 105.035 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 41.600
• 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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