2-metildecahidroquinolina (mezcla de isómeros) - ≥98%(T) , CAS No.20717-43-5

CAS: 20717-43-5 Cat. No.: M404732 Peso molecular: 153.27 Número EC: 835-882-3

GRADE & PURITY ≥98%(T)

Synonyms

T72061 | EN300-6729058 | MFCD20547663 | M3189 | 2-metildecahidroquinolina | 2-METILO-DECAHIDROQUINOLINA | 2-metil-1,2,3,4,4a,5,6,7,8,8a-decahidroquinolina | Decahidroquinolina, 2-metil | SCHEMBL4666029 | decahidro-quinaldina

Storage

Argon charged,Room temperature

Specifications

Sinónimos

T72061 | EN300-6729058 | MFCD20547663 | M3189 | 2-metildecahidroquinolina | 2-METILO-DECAHIDROQUINOLINA | 2-metil-1, 2, 3, 4, 4a, 5, 6, 7, 8, 8a-decahidroquinolina | Decahidroquinolina, 2-metil | SCHEMBL4666029 | decahidro-quinaldina

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: CC1CCC2CCCCC2N1
• IUPAC Name: 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
• InChIKey: FJRLSRUBXMUSOC-UHFFFAOYSA-N
• INCHI: 1S/C10H19N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h8-11H,2-7H2,1H3
• Isómeros SMILES: CC1CCC2CCCCC2N1
• Peso molecular: 153.27
• Reaxy-Rn: 104929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104929&ln=

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 Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quinolidine - Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°C): 78 °C
• Punto de ebullición (°C): 206 °C
• Peso molecular: 153.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 153.152 Da
• Monoisotopic Mass: 153.152 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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