2-Pyrrolidinone - ≥99% , CAS No.616-45-5

CAS: 616-45-5 Cat. No.: P112692 Summenformel: C₄H₇NO Molekulargewicht: 85.1 Beilstein Registry Number: 105241 EG-Nummer: 210-483-1

GRADE & PURITY ≥99%

Synonyms

2-Ketopyrrolidine | 2-Azacyclopentanone | AKOS000119138 | 2-Tetrahydropyrrolone | UNII-KKL5D39EOL | pyrrolidine-2-one | Pyrrolidone | 2-PYRROLIDONE MFC4 H7 N1 O1 | STL197473 | .gamma.-Aminobutyrolactam | 2-Oxopyrrolidine | 2-oxo-pyrrolidine | 2-Pyrol4-am

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyme

2-Ketopyrrolidine | 2-Azacyclopentanone | AKOS000119138 | 2-Tetrahydropyrrolone | UNII-KKL5D39EOL | pyrrolidine-2-one | Pyrrolidone | 2-PYRROLIDONE MFC4 H7 N1 O1 | STL197473 | .gamma.-Aminobutyrolactam | 2-Oxopyrrolidine | 2-oxo-pyrrolidine | 2-Pyrol4-am

Spezifikationen & Reinheit

≥99%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504752246

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752246

Kanonisches Lächeln

C1CC(=O)NC1

IUPAC Name

pyrrolidin-2-one

InChIKey

HNJBEVLQSNELDL-UHFFFAOYSA-N

INCHI

1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

Isomere SMILES

C1CC(=O)NC1

WGK Deutschland

1

RTECS

UY5715000

UN-Nummer

2810

Molekulargewicht

85.1

Beilstein

105241

Reaxy-Rn

105241

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• External Descriptors: pyrrolidin-2-ones

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

Zugehörige Ziele (menschlich)

OR51E2 Tchem Olfactory receptor 51E2 (2 Activities)

Discover Target: OR51E2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Zugehörige Ziele (nicht menschlich)

Meloidogyne incognita (862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: Completely soluble; Very soluble in Ether,Alcohol,Benzene
• Empfindlichkeit: Light & Moisture sensitive.
• Brechungsindex: 1.487
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113℃
• Siedepunkt (°C): 245°C
• Schmelzpunkt (°C): 23-25°C
• Molekulargewicht: 85.100 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 85.0528 Da
• Monoisotopic Mass: 85.0528 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 69.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 616-45-5, the molecular formula is C4H7NO, and the molecular weight is 85.1 g/mol. InChIKey HNJBEVLQSNELDL-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.