1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline


Chemical Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CAS Number: 2051-28-7
Product Number: AG0029V8(AGN-PC-0CXSWT)
Synonyms:
MDL No:
Molecular Formula: C9H17N
Molecular Weight: 139.2380

Identification/Properties


Properties
MP:
37.5-45 °C
BP:
201°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.4916(lit.)
Computed Properties
Molecular Weight:
139.242g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
139.136g/mol
Monoisotopic Mass:
139.136g/mol
Topological Polar Surface Area:
12A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
111
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Decahydroquinoline, also known as decahydroisoquinoline, serves as a versatile building block in chemical synthesis due to its unique structural properties and reactivity. This heterocyclic compound is widely employed in various organic transformations and plays a crucial role in the preparation of diverse bioactive molecules and pharmaceutical compounds.In chemical synthesis, decahydroquinoline is commonly used as a key intermediate in the synthesis of complex alkaloids and natural products. Its cyclic structure provides a stable backbone that can be modified through a range of functionalization reactions, making it a valuable tool for creating molecular diversity. Decahydroquinoline can undergo selective functional group transformations, such as oxidation, reduction, and substitution reactions, allowing for the synthesis of structurally diverse compounds with specific biological activities.Furthermore, decahydroquinoline has found applications in the development of novel materials, catalysts, and ligands. Its unique chemical properties, such as ring strain and conformational flexibility, make it a valuable scaffold for designing molecular systems with tailored properties and functions. By strategically modifying the substituents on the decahydroquinoline ring, chemists can control the reactivity and selectivity of the compound, enabling the synthesis of customized molecules for various applications in materials science and catalysis.Overall, the versatile nature of decahydroquinoline makes it a valuable building block in chemical synthesis, offering a wide range of possibilities for creating complex molecules with significant therapeutic and industrial potential.