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

CAS: 638-53-9 Cat. No.: T114032 Formule: C₁₃H₂₆O₂ Poids moléculaire: 214.34 Beilstein Registry Number: 508317 Numéro CE: 211-341-1 PubChem CID: 12530

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Type d'action

INHIBITOR

Noms et identifiants

Pubchem Sid

528770205

Sourires canoniques

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)

Isomères SMILES

CCCCCCCCCCCCC(=O)O

WGK Allemagne

3

RTECS

YD3850000

PubChem CID

12530

Poids moléculaire

214.34

Beilstein

508317

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Cibles associées (non humaines)

Bacillus subtilis (32866 Activities)

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

Bursaphelenchus xylophilus (372 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Heat sensitive
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 236°C
• Point de fusion (°C): 41-42°C
• Poids moléculaire: 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