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

CAS: 930-21-2 Cat. No.: A139449 분자식: C₃H₅NO 분자량: 71.08 Beilstein Registry Number: 104563 EC 번호: 628-180-1

등급 & 순도 ≥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

개요

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.

사양

동의어

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

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

488187900

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

C1CNC1=O

WGK 독일

3

분자량

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
    • 분류 Carboximidic acids and derivatives
      • Subclass Carboximidic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

관련 대상(비인간)

Moraxella catarrhalis (3334 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: chloroform: very soluble；ethanol: very slightly soluble；water: very soluble
• 끓는점(°C): 106 °C/15 mmHg
• 녹는점(°C): 74-76°C
• 분자량: 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