1-Acetylpyrrolidine - ≥97%(GC) , CAS No.4030-18-6

CAS: 4030-18-6 Cat. No.: A151303 Formula: C₆H₁₁NO Peso molecolare: 113.16

GRADE & PURITY ≥97%(GC)

Synonyms

FT-0629851 | A825044 | 1-pyrrolidin-1-ylethanone | 1-Pyrrolidin-1-yl-ethanone | Pyrrolidine, N-acetyl | AKOS003865658 | 1-Acetylpyrrolidine | 1-acetyl-pyrrolidine | Q27283807 | UNII-MBF6ZG2B0A | 1-(pyrrolidin-1-yl)ethanone | N-Acetylpyrrolidine | Acetylpy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0629851 | A825044 | 1-pyrrolidin-1-ylethanone | 1-Pyrrolidin-1-yl-ethanone | Pyrrolidine, N-acetyl | AKOS003865658 | 1-Acetylpyrrolidine | 1-acetyl-pyrrolidine | Q27283807 | UNII-MBF6ZG2B0A | 1-(pyrrolidin-1-yl)ethanone | N-Acetylpyrrolidine | Acetylpy

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488185438

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185438

Sorrisi canonici

CC(=O)N1CCCC1

IUPAC Name

1-pyrrolidin-1-ylethanone

InChIKey

LNWWQYYLZVZXKS-UHFFFAOYSA-N

INCHI

1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3

Isomeri SMILES

CC(=O)N1CCCC1

Peso molecolare

113.16

Reaxy-Rn

108028

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines
      • Subclass N-acylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: N-acylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acylpyrrolidines
• Alternative Parents: Tertiary carboxylic acid amides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acylpyrrolidine - Acetamide - Tertiary carboxylic acid amide - 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
• Descrizione: This compound belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water
• Indice di rifrazione: 1.48
• Punto di infiammabilità (°C): 91 °C
• Punto di ebollizione (°C): 225°C(lit.)
• Peso molecolare: 113.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.084 Da
• Monoisotopic Mass: 113.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.700
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 4030-18-6, the molecular formula is C6H11NO, and the molecular weight is 113.16 g/mol. InChIKey LNWWQYYLZVZXKS-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.