1,1''-Carbonyldipyrrolidine - ≥98% , CAS No.81759-25-3

CAS: 81759-25-3 Cat. No.: C304714 Molecular Weight: 168.24 EC Number: 621-355-3

GRADE & PURITY ≥98%

Synonyms

A840191 | SCHEMBL413020 | C93512 | ditetrahydro-1H-pyrrol-1-ylmethanone | AC-24865 | AM83814 | dipyrrolidin-1-ylmethanone | J-503729 | MFCD00216641 | Pyrrolidine, 1,1'-carbonylbis- | AKOS015909530 | DTXSID20353025 | AS-17511 | 1-(pyrrolidine-1-carbonyl)py

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

A840191 | SCHEMBL413020 | C93512 | ditetrahydro-1H-pyrrol-1-ylmethanone | AC-24865 | AM83814 | dipyrrolidin-1-ylmethanone | J-503729 | MFCD00216641 | Pyrrolidine, 1, 1'-carbonylbis- | AKOS015909530 | DTXSID20353025 | AS-17511 | 1-(pyrrolidine-1-carbonyl)py

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760057
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760057
• Canonical Smiles: C1CCN(C1)C(=O)N2CCCC2
• IUPAC Name: dipyrrolidin-1-ylmethanone
• InChIKey: HPTQKSXAQBHFKL-UHFFFAOYSA-N
• INCHI: 1S/C9H16N2O/c12-9(10-5-1-2-6-10)11-7-3-4-8-11/h1-8H2
• Isomeric SMILES: C1CCN(C1)C(=O)N2CCCC2
• Molecular Weight: 168.24
• Reaxy-Rn: 1637732
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1637732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidinecarboxamides
• Alternative Parents: Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine-1-carboxamide - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidinecarboxamides. These are pyrrolidines in which the pyrrolidine rings is substituted at one or more positions by a carboxamide group. Pyrrolidine 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

• Solubility: Slightly soluble in water.
• Sensitivity: Light Sensitive.
• Refractive Index: 1.513
• Flash Point(°F): 235°F
• Flash Point(°C): 113℃
• Boil Point(°C): 148-150℃
• Molecular Weight: 168.240 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.126 Da
• Monoisotopic Mass: 168.126 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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: 1