Decahydroquinolin-6-ol - ≥95% , CAS No.16878-29-8

CAS: 16878-29-8 Cat. No.: D1286214 Peso molecular: 155.24 Número EC: 845-240-4 PubChem CID: 283197

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC2CC(CCC2NC1)O
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-ol
• InChIKey: QMQARUHERXCTNJ-UHFFFAOYSA-N
• INCHI: 1S/C9H17NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h7-11H,1-6H2
• Isómeros SMILES: C1CC2CC(CCC2NC1)O
• PubChem CID: 283197
• Peso molecular: 155.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolidines
• Alternative Parents: Piperidines Secondary alcohols Cyclic alcohols and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quinolidine - Piperidine - Cyclic alcohol - Secondary alcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolidines. These are organic compounds containing a quinolidine or decahydroquinoline moiety, which is a bicyclic skeleton consisting of a piperidine fused to a cyclohexane ring.
• 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

• Peso molecular: 155.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 155.131 Da
• Monoisotopic Mass: 155.131 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1