1-Phenylnonadecane - purum, ≥97%(GC) , CAS No.29136-19-4

CAS: 29136-19-4 Cat. No.: P475735 Formula: C₂₅H₄₄ Molecular Weight: 344.63 Beilstein Registry Number: 5(3)1126 EC Number: 249-467-4

GRADE & PURITY ≥97%(GC)

Synonyms

n-Nonadecylbenzene|Nonadecane, 1-phenyl-|Nonadecyl-benzen|1-Phenylnonadecane|Benzene, nonadecyl-|Nonadecylbenzene

Storage

Room temperature

Specifications

Synonyms

n-Nonadecylbenzene | Nonadecane, 1-phenyl- | Nonadecyl-benzen | 1-Phenylnonadecane | Benzene, nonadecyl- | Nonadecylbenzene

Specifications & Purity

purum, ≥97%(GC)

Storage

Room temperature

Purity

≥97%(GC)

Names and Identifiers

Canonical Smiles

CCCCCCCCCCCCCCCCCCCC1=CC=CC=C1

IUPAC Name

nonadecylbenzene

InChIKey

SHWJJBRTHGGZBE-UHFFFAOYSA-N

INCHI

1S/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC1=CC=CC=C1

Molecular Weight

344.63

Beilstein

5(3)1126

Reaxy-Rn

2374683

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2374683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Boil Point(°C): 419 °C
• Melt Point(°C): 36-41 °C
• Molecular Weight: 344.600 g/mol
• XLogP3: 12.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 344.344 Da
• Monoisotopic Mass: 344.344 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 238.000
• 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