Lithium acetoacetate - ≥95% , CAS No.3483-11-2

CAS: 3483-11-2 Cat. No.: L102932 分子式: C₄H₅LiO₃ 分子量: 108.02 Beilstein Registry Number: 5774841 EC番号: 628-531-9

GRADE & PURITY ≥95%

Synonyms

lithium3-oxobutanoate | UTLRZTUJSMCBHB-UHFFFAOYSA-M | Butanoic acid, 3-oxo-, lithium salt | AKOS040758623 | Acetoacetic acid lithium salt | 3-Oxobutanoic acid lithium salt | Lithium 3-Oxobutyrate | AKOS015903289 | lithium 3-oxobutanoate | Lithium acetoace

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Lithium acetoacetate is a building block that has been used as a ketone indicator used in biochemical research.
A building block and ketone indicator.

Specifications

同義語

lithium3-oxobutanoate | UTLRZTUJSMCBHB-UHFFFAOYSA-M | Butanoic acid, 3-oxo-, lithium salt | AKOS040758623 | Acetoacetic acid lithium salt | 3-Oxobutanoic acid lithium salt | Lithium 3-Oxobutyrate | AKOS015903289 | lithium 3-oxobutanoate | Lithium acetoace

仕様と純度

≥95%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

528769419

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528769419

カノニカル・スマイル

[Li+].CC(=O)CC(=O)[O-]

IUPAC Name

lithium;3-oxobutanoate

InChIKey

UTLRZTUJSMCBHB-UHFFFAOYSA-M

INCHI

1S/C4H6O3.Li/c1-3(5)2-4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1

異性体SMILES

[Li+].CC(=O)CC(=O)[O-]

WGKドイツ

3

分子量

108.02

Beilstein

5774841

Reaxy-Rn

5774841

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5774841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Keto acids and derivatives
      • Subclass Short-chain keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Keto acids and derivatives
• Subclass: Short-chain keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Short-chain keto acids and derivatives
• Alternative Parents: Beta-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid salts Organic lithium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-keto acid - Short-chain keto acid - 1,3-dicarbonyl compound - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Organic lithium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 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

関連ターゲット（人間）

FFAR3 Tchem Free fatty acid receptor 3 (304 Activities)

Discover Target: FFAR3

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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

作用メカニズム

化学的性質と物理的性質

• 感度: heat sensitive，Hygroscopic
• 分子量: 108.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 108.04 Da
• Monoisotopic Mass: 108.04 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 99.500
• 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: 2

XLogP3