2,2-Diallylpyrrolidine , CAS No.40162-97-8

CAS: 40162-97-8 Cat. No.: D170156 Formule: C₁₀H₁₇N Poids moléculaire: 151.25

Synonyms

AB01321709-02 | DTXSID60341522 | 2,2-Diallylpyrrolidine, AldrichCPR | AKOS000301604 | MFCD02188353 | HMS1704K08 | 2,2-bis(prop-2-enyl)pyrrolidine | FT-0710729 | SCHEMBL16767665 | 2,2-di(prop-2-en-1-yl)pyrrolidine | STK001458 | FS-6318 | 2,2-Diallylpyrroli

Storage

Température ambiante

Shipped In

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Specifications

Synonymes

AB01321709-02 | DTXSID60341522 | 2,2-Diallylpyrrolidine, AldrichCPR | AKOS000301604 | MFCD02188353 | HMS1704K08 | 2,2-bis(prop-2-enyl)pyrrolidine | FT-0710729 | SCHEMBL16767665 | 2,2-di(prop-2-en-1-yl)pyrrolidine | STK001458 | FS-6318 | 2,2-Diallylpyrroli

Conditions de stockage de stockage

Température ambiante

Expédié en

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Noms et identifiants

• Sourires canoniques: C=CCC1(CCCN1)CC=C
• IUPAC Name: 2,2-bis(prop-2-enyl)pyrrolidine
• InChIKey: NCGZTZMXOLYPSP-UHFFFAOYSA-N
• INCHI: 1S/C10H17N/c1-3-6-10(7-4-2)8-5-9-11-10/h3-4,11H,1-2,5-9H2
• Isomères SMILES: C=CCC1(CCCN1)CC=C
• Poids moléculaire: 151.25
• Reaxy-Rn: 1616836
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1616836&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 Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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: 151.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 151.136 Da
• Monoisotopic Mass: 151.136 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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