Tridecanoic acid - analytical standard , CAS No.638-53-9

CAS: 638-53-9 Cat. No.: T114032 Summenformel: C₁₃H₂₆O₂ Molekulargewicht: 214.34 Beilstein Registry Number: 508317 EG-Nummer: 211-341-1 PubChem CID: 12530

QUALITÄT & REINHEIT Analytical standard

Synonyms

MFCD00002741 | H10745 | NSC 69131; Tridecylic acid; n-Tridecanoic acid; n-Tridecoic acid | Q419857 | NCIOpen2_003250 | AMY5937 | AS-56729 | BDBM50511038 | BRN 0508317 | Tridecanoic acid, technical grade, 90% | HY-Y1718 | NSC69131 | NSC-69131 | Tridecanoic

Storage

Room temperature

Shipped In

Normal

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Spezifikationen

Synonyme

MFCD00002741 | H10745 | NSC 69131; Tridecylic acid; n-Tridecanoic acid; n-Tridecoic acid | Q419857 | NCIOpen2_003250 | AMY5937 | AS-56729 | BDBM50511038 | BRN 0508317 | Tridecanoic acid, technical grade, 90% | HY-Y1718 | NSC69131 | NSC-69131 | Tridecanoic

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528770205

Kanonisches Lächeln

CCCCCCCCCCCCC(=O)O

IUPAC Name

tridecanoic acid

InChIKey

SZHOJFHSIKHZHA-UHFFFAOYSA-N

INCHI

1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)

Isomere SMILES

CCCCCCCCCCCCC(=O)O

WGK Deutschland

3

RTECS

YD3850000

PubChem CID

12530

Molekulargewicht

214.34

Beilstein

508317

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: 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: Straight chain fatty 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

Zugehörige Ziele (nicht menschlich)

Bacillus subtilis (32866 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 236°C
• Schmelzpunkt (°C): 41-42°C
• Molekulargewicht: 214.340 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 214.193 Da
• Monoisotopic Mass: 214.193 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 143.000
• 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