trans-Decahydroisoquinoline - ≥95%

Cat. No.: B301189

GRADE & PURITY ≥95%

Synonyms

trans-Decahydroisoquinoline|2744-09-4|(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline|CIS-DECAHYDROISOQUINOLINE|trans-decahydro-isoquinoline|SCHEMBL12440357|(4aS,8aS)-Decahydroisoquinoline|DTXSID50454534|NENLYAQPNATJSU-IUCAKERBSA-N|(+/-)-trans-decah

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

trans-Decahydroisoquinoline | 2744-09-4 | (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline | CIS-DECAHYDROISOQUINOLINE | trans-decahydro-isoquinoline | SCHEMBL12440357 | (4aS,8aS)-Decahydroisoquinoline | DTXSID50454534 | NENLYAQPNATJSU-IUCAKERBSA-N | (+/-)-trans-decah

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1CCC2CNCCC2C1

IUPAC Name

(4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

InChIKey

NENLYAQPNATJSU-IUCAKERBSA-N

INCHI

1S/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2/t8-,9-/m0/s1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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: 139.240 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 139.136 Da
• Monoisotopic Mass: 139.136 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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