1,3-Diazaspiro[4.4]non-1-en-4-one,2-butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-


Chemical Name: 1,3-Diazaspiro[4.4]non-1-en-4-one,2-butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number: 138402-11-6
Product Number: AG0018Q6(AGN-PC-0PMNVE)
Synonyms:
MDL No:
Molecular Formula: C25H28N6O
Molecular Weight: 428.5294

Identification/Properties


Computed Properties
Molecular Weight:
428.54g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
428.232g/mol
Monoisotopic Mass:
428.232g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
682
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#:
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



2-Butyl-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one is a versatile compound widely employed in chemical synthesis due to its unique molecular structure. This compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. With its intricate diazaspiro backbone and tetrazole functional group, this compound offers a wide range of synthetic possibilities in the creation of novel organic molecules. Additionally, its butyl side chain provides flexibility and compatibility for diverse chemical reactions, making it an essential component in the construction of complex molecular architectures.