Heptadecane - analytical standard, ≥99.5%(GC) , CAS No.629-78-7

CAS: 629-78-7 Cat. No.: H104723 分子式: C₁₇H₃₆ 分子量: 240.47 Beilstein Registry Number: 1738898 EC番号: 211-108-4

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

CAS-629-78-7 | NSC 172782 | Heptadecane; NSC 172782; TS 7; n-Heptadecane | HSDB 8347 | C01816 | Heptadecane purum | n-Heptadecane (d36) | Normal-heptadecane | AI3-36898 | DTXCID5027061 | Heptadecane, 99% | Heptadecane, purum, >=98.0% (GC) | Samarium(III)C

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

CAS-629-78-7 | NSC 172782 | Heptadecane; NSC 172782; TS 7; n-Heptadecane | HSDB 8347 | C01816 | Heptadecane purum | n-Heptadecane (d36) | Normal-heptadecane | AI3-36898 | DTXCID5027061 | Heptadecane, 99% | Heptadecane, purum, >=98.0% (GC) | Samarium(III)C

仕様と純度

analytical standard, ≥99.5%(GC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

528770198

カノニカル・スマイル

CCCCCCCCCCCCCCCCC

IUPAC Name

heptadecane

InChIKey

NDJKXXJCMXVBJW-UHFFFAOYSA-N

INCHI

1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

異性体SMILES

CCCCCCCCCCCCCCCCC

WGKドイツ

3

RTECS

MI3550000

分子量

240.47

Beilstein

1738898

Reaxy-Rn

1738898

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738898&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: a small molecule

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

化学的性質と物理的性質

• 屈折率: 1.4369
• 引火点（°F）: 298.4℉
• 引火点（°C）: 148℃
• 沸点（°C）: 301.8°C
• 融点（°C）: 22°C
• 分子量: 240.500 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 240.282 Da
• Monoisotopic Mass: 240.282 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 103.000
• 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