Nafetolol - ≥98% , CAS No.42050-23-7

CAS: 42050-23-7 Cat. No.: N1322019 Summenformel: C₁₉H₂₉NO₃ Molekulargewicht: 319.4

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

ANTAGONIST

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)(C)NCC(COC1=C2C3CCC(C2=C(C=C1)O)CC3)O
• IUPAC Name: 6-[3-(tert-butylamino)-2-hydroxypropoxy]tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ol
• InChIKey: GEVXLKYQQIKELK-UHFFFAOYSA-N
• INCHI: 1S/C19H29NO3/c1-19(2,3)20-10-14(21)11-23-16-9-8-15(22)17-12-4-6-13(7-5-12)18(16)17/h8-9,12-14,20-22H,4-7,10-11H2,1-3H3
• Molekulargewicht: 319.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

• Molekulargewicht: 319.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 319.215 Da
• Monoisotopic Mass: 319.215 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 387.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1