1-Octadecylpyrrole - ≥95%(GC) , CAS No.89601-24-1

CAS: 89601-24-1 Cat. No.: O160000 Summenformel: C₂₂H₄₁N Molekulargewicht: 319.58

GRADE & PURITY ≥95%(GC)

Synonyms

O0219 | 1-n-octadecylpyrrole | LCZC2830 | 1-octadecyl-1H-pyrrole | MFCD00144990 | SCHEMBL4736062 | FT-0760007 | A917163 | 1-Octadecylpyrrole | AKOS015839793 | SB62689 | T73048 | DTXSID90597393

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

O0219 | 1-n-octadecylpyrrole | LCZC2830 | 1-octadecyl-1H-pyrrole | MFCD00144990 | SCHEMBL4736062 | FT-0760007 | A917163 | 1-Octadecylpyrrole | AKOS015839793 | SB62689 | T73048 | DTXSID90597393

Spezifikationen & Reinheit

≥95%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

504768805

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768805

Kanonisches Lächeln

CCCCCCCCCCCCCCCCCCN1C=CC=C1

IUPAC Name

1-octadecylpyrrole

InChIKey

BMSMIJNAHWEOBQ-UHFFFAOYSA-N

INCHI

1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-23/h18-19,21-22H,2-17,20H2,1H3

Isomere SMILES

CCCCCCCCCCCCCCCCCCN1C=CC=C1

Molekulargewicht

319.58

Reaxy-Rn

187867

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=187867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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

• Siedepunkt (°C): 182°C/1mmHg(lit.)
• Schmelzpunkt (°C): 39 °C
• Molekulargewicht: 319.600 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 17
• Exact Mass: 319.324 Da
• Monoisotopic Mass: 319.324 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 220.000
• 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