Tridecanedioic Acid - ≥96% , CAS No.505-52-2

CAS: 505-52-2 Cat. No.: T161927 分子式: C₁₃H₂₄O₄ 分子量: 244.33 Beilstein Registry Number: 2731 EC番号: 208-011-4 PubChem CID: 10458

GRADE & PURITY ≥96%

Synonyms

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

仕様と純度

≥96%

保管条件

Room temperature

入荷

Normal

純度

≥96%

名前と識別子

パブケム・シド

488181138

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181138

カノニカル・スマイル

C(CCCCCC(=O)O)CCCCCC(=O)O

IUPAC Name

tridecanedioic acid

InChIKey

DXNCZXXFRKPEPY-UHFFFAOYSA-N

INCHI

1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)

異性体SMILES

C(CCCCCC(=O)O)CCCCCC(=O)O

WGKドイツ

3

PubChem CID

10458

分子量

244.33

Beilstein

2731

Reaxy-Rn

1786404

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - 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 long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Dicarboxylic acids

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

化学的性質と物理的性質

• 融点（°C）: 113 °C
• 分子量: 244.330 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 191.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 505-52-2, the molecular formula is C13H24O4, and the molecular weight is 244.33 g/mol. InChIKey DXNCZXXFRKPEPY-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.