ZE7Qpy4258 , CAS No.936622-80-9

CAS: 936622-80-9 Cat. No.: Z1237922 Fórmula: C₂₆H₂₄N₂O Peso molecular: 380.5

Storage

Room temperature

Shipped In

Normal

Especificações

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

CC1=C2CCN(C2=C3C=C(C=CC3=N1)OC4=CC=CC=C4)CCC5=CC=CC=C5

IUPAC Name

4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline

InChIKey

XCZMUTGHJBFKPM-UHFFFAOYSA-N

INCHI

1S/C26H24N2O/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3

Peso molecular

380.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Pyrroloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Pyrroloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrroloquinolines
• Alternative Parents: Diarylethers 4-aminoquinolines Phenethylamines Phenoxy compounds Phenol ethers Dialkylarylamines Methylpyridines Aralkylamines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrroloquinoline - 4-aminoquinoline - Diaryl ether - Aminoquinoline - Phenethylamine - Phenoxy compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Methylpyridine - Aralkylamine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.
• 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

Propriedades químicas e físicas

• Peso molecular: 380.500 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 380.189 Da
• Monoisotopic Mass: 380.189 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 513.000
• 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

Perguntas frequentes

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 936622-80-9, the molecular formula is C26H24N2O, and the molecular weight is 380.5 g/mol. InChIKey XCZMUTGHJBFKPM-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.