Pentadecane - ≥98% , CAS No.629-62-9

CAS: 629-62-9 Cat. No.: P103403 分子式: C₁₅H₃₂ 分子量: 212.41 Beilstein Registry Number: 1698194 EC番号: 211-098-1

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504752323

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCCCCCCCCCCCC

WGKドイツ

3

RTECS

RZ1800000

UN番号

1993

包装グループ

I

分子量

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
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in alcohol, ethanol, and ethyl ether. Insoluble in water.Immiscible with water.
• 屈折率: 1.4315
• 引火点（°F）: 269.6 °F
• 引火点（°C）: （closed cup）130℃
• 沸点（°C）: 270.5°C
• 融点（°C）: 10°C
• 分子量: 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