1-Tetradecanol - ≥95% , CAS No.112-72-1

CAS: 112-72-1 Cat. No.: T283923 Fórmula: C₁₄H₃₀O Peso molecular: 214.39 Beilstein Registry Number: 1742652 Número CE: 204-000-3 PubChem CID: 8209

GRAU & PUREZA ≥95%

Synonyms

Myristyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material | n-Tetradecanol | SDA 15-060-00 | EC 204-000-3 | NCGC00164345-03 | Conol 1495 | NSC 8549 | Nacol 14-95 | Alcohol(C14) | MYRISTYL ALCOHOL [WHO-DD] | NSC8549 | Lanette 14 | M

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Myristyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material | n-Tetradecanol | SDA 15-060-00 | EC 204-000-3 | NCGC00164345-03 | Conol 1495 | NSC 8549 | Nacol 14-95 | Alcohol(C14) | MYRISTYL ALCOHOL [WHO-DD] | NSC8549 | Lanette 14 | M

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508812594

Sorrisos canónicos

CCCCCCCCCCCCCCO

IUPAC Name

tetradecan-1-ol

InChIKey

HLZKNKRTKFSKGZ-UHFFFAOYSA-N

INCHI

1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3

SMILES isoméricas

CCCCCCCCCCCCCCO

RTECS

XB8655000

PubChem CID

8209

Peso molecular

214.39

Beilstein

1742652

Reaxy-Rn

1742652

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
• External Descriptors: a long-chain alcohol - a primary alcohol - a fatty alcohol

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

Alvos associados (humanos)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

Alvos associados (não humanos)

Staphylococcus aureus (210822 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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

Cutibacterium acnes (887 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): 298.4 °F
• Ponto de inflamação (°C): 141℃
• Ponto de ebulição (°C): 263.2°C
• Ponto de fusão (°C): 38°C
• Peso molecular: 214.390 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 214.23 Da
• Monoisotopic Mass: 214.23 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 102.000
• 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