tetradec-2-enoic acid - ≥98% , CAS No.39525-69-4

CAS: 39525-69-4 Cat. No.: T303641 Summenformel: C₁₄H₂₆O₂ Molekulargewicht: 226.36

GRADE & PURITY ≥98%

Synonyms

AMY37908 | Q27131059 | Q27117091 | C14:1n-12 | 2-Tetradecensaeure | Tetradecenoic acid | acido 2-tetradecanoico | C14:1, n-12 trans | Tetradec-2-ensaeure | (2E)-tetradec-2-enoic acid | CHEBI:61366 | trans-2-tetradecenoic acid | C14:1, n-12 | 14:1, n-12 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

AMY37908 | Q27131059 | Q27117091 | C14:1n-12 | 2-Tetradecensaeure | Tetradecenoic acid | acido 2-tetradecanoico | C14:1, n-12 trans | Tetradec-2-ensaeure | (2E)-tetradec-2-enoic acid | CHEBI:61366 | trans-2-tetradecenoic acid | C14:1, n-12 | 14:1, n-12 |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488195268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195268
• Kanonisches Lächeln: CCCCCCCCCCCC=CC(=O)O
• IUPAC Name: (E)-tetradec-2-enoic acid
• InChIKey: IBYFOBGPNPINBU-OUKQBFOZSA-N
• INCHI: 1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/b13-12+
• Isomere SMILES: CCCCCCCCCCC/C=C/C(=O)O
• Molekulargewicht: 226.36

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: Unsaturated fatty acids 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 - Unsaturated 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: Unsaturated 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 (menschlich)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Zugehörige Ziele (nicht menschlich)

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): 246℃
• Siedepunkt (°C): 343.4℃at 760 mmHg
• Molekulargewicht: 226.350 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 226.193 Da
• Monoisotopic Mass: 226.193 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1