Dibutyl sebacate(DBS) - 10mM in DMSO , CAS No.109-43-3

CAS: 109-43-3 Cat. No.: D420567 分子式: C₁₈H₃₄O₄ 分子量: 314.46 Beilstein Registry Number: 1798308 EC番号: 203-672-5

グレード＆純度 10mM in DMSO

Synonyms

1,10-dibutyl decanedioate | AI3-00393 | DIBUTYL SEBACATE | Dibutyl sebacate (NF) | DIBUTYL SEBACATE [II] | BS-14305 | CCRIS 8264 | Dibutyl sebacate, analytical standard | FT-0624681 | NCGC00254088-01 | Q411272 | DTXSID1041847 | PX-404 | Uniflex DBS | Deca

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

仕様

同義語

1,10-dibutyl decanedioate | AI3-00393 | DIBUTYL SEBACATE | Dibutyl sebacate (NF) | DIBUTYL SEBACATE [II] | BS-14305 | CCRIS 8264 | Dibutyl sebacate, analytical standard | FT-0624681 | NCGC00254088-01 | Q411272 | DTXSID1041847 | PX-404 | Uniflex DBS | Deca

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

パブケム・シド

528773663

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528773663

カノニカル・スマイル

CCCCOC(=O)CCCCCCCCC(=O)OCCCC

IUPAC Name

dibutyl decanedioate

InChIKey

PYGXAGIECVVIOZ-UHFFFAOYSA-N

INCHI

1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3

異性体SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCCC

WGKドイツ

1

RTECS

VS1150000

分子量

314.46

Beilstein

1798308

Reaxy-Rn

1798308

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1798308&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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（非人間）

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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: Moisture sensitive
• 屈折率: 1.441
• 引火点（°F）: 352.4 °F
• 引火点（°C）: 176℃
• 沸点（°C）: 178-179°C
• 融点（°C）: -10°C
• 分子量: 314.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 314.246 Da
• Monoisotopic Mass: 314.246 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 248.000
• 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