Heptadecanonitrile - ≥95%(GC) , CAS No.5399-02-0

CAS: 5399-02-0 Cat. No.: H156944 Formula: C₁₇H₃₃N Peso molecolare: 251.46 Numero EC: 226-432-1

QUALITÀ & PUREZZA ≥95%(GC)

Synonyms

Cetyl cyanide | Heptadecanoic acid nitrile | 1-Cyanohexadecane | Heptadecanenitrile, >=95.0% (GC) | Heptadecanonitrile | n-Heptadecanonitrile | heptadecannitril | EC 268-079-6 | EINECS 226-432-1 | DTXSID90873467 | D90904 | Hexadecyl cyanide | Margaronitri

Storage

Room temperature

Shipped In

Normal

Panoramica

application：

Heptadecanenitrile gets adsorbed on gold and copper surface from hexane or acetone solution and adsorbed layers are investigated by reflection infrared spectroscopy.

Specifiche

Sinonimi

Cetyl cyanide | Heptadecanoic acid nitrile | 1-Cyanohexadecane | Heptadecanenitrile, >=95.0% (GC) | Heptadecanonitrile | n-Heptadecanonitrile | heptadecannitril | EC 268-079-6 | EINECS 226-432-1 | DTXSID90873467 | D90904 | Hexadecyl cyanide | Margaronitri

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

488185722

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185722

Sorrisi canonici

CCCCCCCCCCCCCCCCC#N

IUPAC Name

heptadecanenitrile

InChIKey

ZXPWFWWSCFIFII-UHFFFAOYSA-N

INCHI

1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3

Isomeri SMILES

CCCCCCCCCCCCCCCCC#N

WGK Germania

3

Peso molecolare

251.46

Reaxy-Rn

1775016

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 208 °C
• Punto di fusione (°C): 34 °C
• Peso molecolare: 251.500 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 251.261 Da
• Monoisotopic Mass: 251.261 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 189.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5399-02-0, the molecular formula is C17H33N, and the molecular weight is 251.46 g/mol. InChIKey ZXPWFWWSCFIFII-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.