1-Pentadecyne - ≥95%(GC) , CAS No.765-13-9

CAS: 765-13-9 Cat. No.: P160652 Fórmula: C₁₅H₂₈ Peso molecular: 208.39 Beilstein Registry Number: 1751010 Número EC: 212-140-1 PubChem CID: 69825

GRADE & PURITY ≥95%(GC)

Synonyms

D91951 | EINECS 212-140-1 | AKOS015836226 | pentadec-1-yne | N-Tridecylacetylene | DONJGKADZJEXRJ-UHFFFAOYSA-N | DTXSID9061097 | FT-0608198 | 1-Pentadecyne, 98% | P0356 | MFCD00015081 | 1-Penatdecyne | Tridecylacetylene | 1-Pentadecyne | Q67866110 | AS-77

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

D91951 | EINECS 212-140-1 | AKOS015836226 | pentadec-1-yne | N-Tridecylacetylene | DONJGKADZJEXRJ-UHFFFAOYSA-N | DTXSID9061097 | FT-0608198 | 1-Pentadecyne, 98% | P0356 | MFCD00015081 | 1-Penatdecyne | Tridecylacetylene | 1-Pentadecyne | Q67866110 | AS-77

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCC#C
• IUPAC Name: pentadec-1-yne
• InChIKey: DONJGKADZJEXRJ-UHFFFAOYSA-N
• INCHI: 1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3
• Isómeros SMILES: CCCCCCCCCCCCCC#C
• WGK Alemania: 3
• PubChem CID: 69825
• Peso molecular: 208.39
• Beilstein: 1751010
• Reaxy-Rn: 1751009

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• Clase: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Terminal alkynes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Alkyne - Acyclic acetylene - Acetylene - Hydrocarbon - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.44
• Punto de ebullición (°C): 268°C(lit.)
• Peso molecular: 208.380 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 208.219 Da
• Monoisotopic Mass: 208.219 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 149.000
• 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