6-Quinolinecarbonitrile, 1-acetyl-1,2,3,4-tetrahydro-


Chemical Name: 6-Quinolinecarbonitrile, 1-acetyl-1,2,3,4-tetrahydro-
CAS Number: 851202-94-3
Product Number: AG003DW4(AGN-PC-01XGAL)
Synonyms:
MDL No: MFCD04035722
Molecular Formula: C12H12N2O
Molecular Weight: 200.2365

Identification/Properties


Properties
BP:
458°C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Computed Properties
Molecular Weight:
200.241g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
200.095g/mol
Monoisotopic Mass:
200.095g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
304
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile is a versatile compound widely used in chemical synthesis as a key intermediate in the production of various organic molecules. Its unique structure and reactivity make it ideal for the creation of complex pharmaceuticals, agrochemicals, and specialty chemicals. In particular, this compound serves as a valuable building block for the synthesis of heterocyclic compounds and natural products. With its functional groups and potential for further derivatization, 1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile plays a crucial role in enabling the efficient and controlled formation of important chemical structures in the laboratory and industrial settings. Its applications extend to drug discovery, materials science, and the development of novel chemical entities with diverse properties and functionalities.