Pentadecane - ≥99% , CAS No.629-62-9

CAS: 629-62-9 Cat. No.: P103402 Fórmula: C₁₅H₃₂ Peso molecular: 212.41 Beilstein Registry Number: 1698194 Número EC: 211-098-1

CALIDAD & PUREZA ≥99%

Synonyms

Pentadecane; NSC 172781; n-Pentadecane|Pentadecane, n-|dipentylfumarate|N-PENTADECANE|Pentadecane_Ramanathan &Gurudeeban|UNII: 16H6K2S8M2|PENTADECANE [INCI]|Medicinal Plant|Pentadekan|ghl.PD_Mitscher_leg0.43|PENTADECANE (N)|1-Penfadecane,(S)|pentadecan|N-PENTADECANE [HSDB]|Pentadecane

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Pentadecane; NSC 172781; n-Pentadecane | Pentadecane, n- | dipentylfumarate | N-PENTADECANE | Pentadecane_Ramanathan &Gurudeeban | UNII: 16H6K2S8M2 | PENTADECANE [INCI] | Medicinal Plant | Pentadekan | ghl.PD_Mitscher_leg0.43 | PENTADECANE (N) | 1-Penfadecane,(S) | pentadecan | N-PENTADECANE [HSDB] | Pentadecane

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488181650

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181650

Sonrisas canónicas

CCCCCCCCCCCCCCC

IUPAC Name

pentadecane

InChIKey

YCOZIPAWZNQLMR-UHFFFAOYSA-N

INCHI

1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

Isómeros SMILES

CCCCCCCCCCCCCCC

WGK Alemania

3

RTECS

RZ1800000

Número ONU

1993

Grupo de embalaje

I

Peso molecular

212.41

Beilstein

1698194

Reaxy-Rn

1698194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: an alkane

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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Very soluble in Alcohol,Ether
• Índice de refracción: 1.4315
• Punto de inflamación (°F): 269.6 °F
• Punto de inflamación (°C): （closed cup）130℃
• Punto de ebullición (°C): 270.5°C
• Punto de fusión (°C): 10°C
• Peso molecular: 212.410 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 212.25 Da
• Monoisotopic Mass: 212.25 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 84.200
• 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