Nonatriacontane - ≥90% , CAS No.7194-86-7

CAS: 7194-86-7 Cat. No.: N463282 Summenformel: CH₃(CH₂)₃₇CH₃ Molekulargewicht: 549.05 EG-Nummer: 686-233-4

GRADE & PURITY ≥90%

Synonyms

Nonatriacontane | Nonatriacontane; n-Nonatriacontane | FT-0728160 | ZOH3A3X6UH | n-Nonatriacontane | Q151226 | n-Nonatriacontane 100 microg/mL in Hexane | Nonatriacontane, >=90.0% (GC) | DTXSID4074724 | UNII-ZOH3A3X6UH

Storage

Room temperature

Übersicht

Thickness of single crystal of nonatriacontane is 45 ± 10 A°.Nonatriacontane was used to develop a new peak alignment algorithm named distance and spectrum correlation optimization (DISCO) method to align two-dimensional gas chromatography time-of-flight mass spectrometry data for metabolomics.

Application：

A new peak alignment algorithm called Distance and Spectral Correlation Optimization (DISCO) method was developed using thirty-nine alkanes to compare two-dimensional gas chromatography time-of-flight mass spectral data in metabolomics.

Specifications

Synonyme

Nonatriacontane | Nonatriacontane; n-Nonatriacontane | FT-0728160 | ZOH3A3X6UH | n-Nonatriacontane | Q151226 | n-Nonatriacontane 100 microg/mL in Hexane | Nonatriacontane, >=90.0% (GC) | DTXSID4074724 | UNII-ZOH3A3X6UH

Spezifikationen & Reinheit

≥90%

Storage

Room temperature

Reinheit

≥90%

Namen und Kennungen

• Pubchem Sid: 504756726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756726
• Kanonisches Lächeln: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: nonatriacontane
• InChIKey: SNXOSZZZNFRFNZ-UHFFFAOYSA-N
• INCHI: 1S/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
• Isomere SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Deutschland: 3
• Molekulargewicht: 549.05
• Reaxy-Rn: 1714035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1714035&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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: Not available

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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 78 - 82 °C
• Molekulargewicht: 549.100 g/mol
• XLogP3: 20.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 36
• Exact Mass: 548.626 Da
• Monoisotopic Mass: 548.626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 349.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7194-86-7, the molecular formula is CH3(CH2)37CH3, and the molecular weight is 549.05 g/mol. InChIKey SNXOSZZZNFRFNZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.