헥사코산 - 분석 표준, ≥99.5%(GC) , CAS No.630-01-3

CAS: 630-01-3 Cat. No.: H105441 분자식: C₂₆H₅₄ 분자량: 366.71 Beilstein Registry Number: 1705609 EC 번호: 211-124-1

등급 & 순도 Analytical standard, ≥99.5%(GC)

Synonyms

HEXACOSANE|Trans-4-hydroxyl-lprolinemethyl esterhydrochloride|HEXACOSANE, N-|n-Hexacosane|Hexacosane; NSC 122457; n-Hexacosane|Pentacosane, methyl-

Storage

Room temperature

Shipped In

보통

사양

동의어

HEXACOSANE | Trans-4-hydroxyl-lprolinemethyl esterhydrochloride | HEXACOSANE, N- | n-Hexacosane | Hexacosane; NSC 122457; n-Hexacosane | Pentacosane, methyl-

사양 및 순도

분석 표준, ≥99.5%(GC)

보관 조건

Room temperature

배송

보통

등급

분석 표준물질

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

528769595

정식 스마일

CCCCCCCCCCCCCCCCCCCCCCCCCC

IUPAC Name

hexacosane

InChIKey

HMSWAIKSFDFLKN-UHFFFAOYSA-N

INCHI

1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

이성체 SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC

WGK 독일

3

분자량

366.71

Beilstein

1705609

Reaxy-Rn

1705609

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705609&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 발화점(°F): 419℉
• 발화점(°C): 215℃
• 끓는점(°C): 420°C
• 녹는점(°C): 56-59°C
• 분자량: 366.700 g/mol
• XLogP3: 13.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 23
• Exact Mass: 366.423 Da
• Monoisotopic Mass: 366.423 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 196.000
• 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