2-Azetidinone - ≥97% , CAS No.930-21-2

CAS: 930-21-2 Cat. No.: A139449 Fórmula: C₃H₅NO Peso molecular: 71.08 Beilstein Registry Number: 104563 Número CE: 628-180-1

GRAU & PUREZA ≥97%

Synonyms

BBL100059 | CHEBI:35627 | EN300-70816 | CH3CHClCH2Cl | InChI=1/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5 | MFCD00013328 | Propiolactam | DTXSID30239225 | PS-9375 | AMY18291 | METHACRYALDEHYDE | Azetidinone | 2-Azetidinone | MNFORVFSTILPAW-UHFFFAOYSA-N | beta-Lact

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

It is an unsubstituted four membered lactam.It is the fundamental building block of β-lactam antibiotics. X-ray photoelectron spectra of 2-azetidinone was investigated.It undergoes hydrolysis with aqueous alkali to yield β-alanine.
It was used in synthesis of optically pure densely functionalized γ-lactams.

Especificações

Sinónimos

BBL100059 | CHEBI:35627 | EN300-70816 | CH3CHClCH2Cl | InChI=1/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5 | MFCD00013328 | Propiolactam | DTXSID30239225 | PS-9375 | AMY18291 | METHACRYALDEHYDE | Azetidinone | 2-Azetidinone | MNFORVFSTILPAW-UHFFFAOYSA-N | beta-Lact

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488187900

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187900

Sorrisos canónicos

C1CNC1=O

IUPAC Name

azetidin-2-one

InChIKey

MNFORVFSTILPAW-UHFFFAOYSA-N

INCHI

1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)

SMILES isoméricas

C1CNC1=O

WGK Alemanha

3

Peso molecular

71.08

Beilstein

104563

Reaxy-Rn

104563

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboximidic acids and derivatives
      • Subclass Carboximidic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboximidic acids and derivatives
• Subclass: Carboximidic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic carboximidic acids
• Alternative Parents: Lactims Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Cyclic carboximidic acid - Lactim - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclic carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group), where the carboximidic acid group is part of a cycle.
• External Descriptors: beta-lactam

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

Alvos associados (não humanos)

Moraxella catarrhalis (3334 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: chloroform: very soluble；ethanol: very slightly soluble；water: very soluble
• Ponto de ebulição (°C): 106 °C/15 mmHg
• Ponto de fusão (°C): 74-76°C
• Peso molecular: 71.080 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 71.0371 Da
• Monoisotopic Mass: 71.0371 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 59.900
• 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