Pentadecane - Standard for GC, ≥99.5%(GC) , CAS No.629-62-9

CAS: 629-62-9 Cat. No.: P103401 Formula: C₁₅H₃₂ Peso molecolare: 212.41 Beilstein Registry Number: 1698194 Numero EC: 211-098-1

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

CH3-[CH2]13-CH3 | Pentadecane; NSC 172781; n-Pentadecane | Pentadecane, >=99% | Pentadecane, n- | Pentadecane, analytical standard | dipentylfumarate | C08388 | FT-0700536 | CH3(CH2)13CH3 | CH3-(CH2)13-CH3 | 4-01-00-00529 (Beilstein Handbook Reference) |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

CH3-[CH2]13-CH3 | Pentadecane; NSC 172781; n-Pentadecane | Pentadecane, >=99% | Pentadecane, n- | Pentadecane, analytical standard | dipentylfumarate | C08388 | FT-0700536 | CH3(CH2)13CH3 | CH3-(CH2)13-CH3 | 4-01-00-00529 (Beilstein Handbook Reference) |

Specifiche e purezza

Standard for GC, ≥99.5%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard for GC

Purezza

≥99.5%(GC)

Nomi e identificatori

• Pubchem Sid: 528770247
• Sorrisi canonici: 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
• Isomeri SMILES: CCCCCCCCCCCCCCC
• WGK Germania: 3
• RTECS: RZ1800000
• Numero UN: 1993
• Gruppo di imballaggio: I
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water; Very soluble in Ether,Alcohol
• Indice di rifrazione: 1.4315
• Punto di infiammabilità (°F): 269.6 °F
• Punto di infiammabilità (°C): （closed cup）130℃
• Punto di ebollizione (°C): 270.5°C
• Punto di fusione (°C): 10°C
• Peso molecolare: 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

Riferimenti

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