Dotriacontane - analytical standard, ≥99%(GC) , CAS No.544-85-4

CAS: 544-85-4 Cat. No.: D104743 분자식: C₃₂H₆₆ 분자량: 450.87 Beilstein Registry Number: 1783260 EC 번호: 208-881-5

등급 & 순도 Analytical standard, ≥99%(GC)

Synonyms

Bicetyl|Dotriacontane, n-|Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane|Lacceran|DICETYL|DOTRIACONTANE|n-Dotriacontane

Storage

Room temperature

Shipped In

Normal

사양

동의어

Bicetyl | Dotriacontane, n- | Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane | Lacceran | DICETYL | DOTRIACONTANE | n-Dotriacontane

사양 및 순도

analytical standard, ≥99%(GC)

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

508811463

정식 스마일

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

IUPAC Name

dotriacontane

InChIKey

QHMGJGNTMQDRQA-UHFFFAOYSA-N

INCHI

1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

이성체 SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

WGK 독일

3

RTECS

JT2360000

분자량

450.87

Beilstein

1783260

Reaxy-Rn

1783260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783260&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: Hydrocarbons

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

• 굴절률: 1.455
• 끓는점(°C): 467°C
• 녹는점(°C): 69.7°C
• 분자량: 450.900 g/mol
• XLogP3: 16.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 29
• Exact Mass: 450.516 Da
• Monoisotopic Mass: 450.516 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 264.000
• 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