Pentadecane - ≥98% , CAS No.629-62-9

CAS: 629-62-9 Cat. No.: P103403 Fórmula: C₁₅H₃₂ Peso molecular: 212.41 Beilstein Registry Number: 1698194 Número CE: 211-098-1

GRAU & PUREZA ≥98%

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

Especificações

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504752323

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752323

Sorrisos canónicos

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

SMILES isoméricas

CCCCCCCCCCCCCCC

WGK Alemanha

3

RTECS

RZ1800000

Número UN

1993

Grupo de embalagem

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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrição: 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

Alvos associados (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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in alcohol, ethanol, and ethyl ether. Insoluble in water.Immiscible with water.
• Índice de refração: 1.4315
• Ponto de inflamação (°F): 269.6 °F
• Ponto de inflamação (°C): （closed cup）130℃
• Ponto de ebulição (°C): 270.5°C
• Ponto de fusão (°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