5H-Benzocyclohepten-5-one, 3-amino-6,7,8,9-tetrahydro-


Chemical Name: 5H-Benzocyclohepten-5-one, 3-amino-6,7,8,9-tetrahydro-
CAS Number: 95207-68-4
Product Number: AG00IITT(AGN-PC-0JO03X)
Synonyms:
MDL No:
Molecular Formula: C11H13NO
Molecular Weight: 175.2270

Identification/Properties


Computed Properties
Molecular Weight:
175.231g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
175.1g/mol
Monoisotopic Mass:
175.1g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, also known as $name$, is a versatile compound widely utilized in chemical synthesis. Its unique structure and reactivity make it a valuable building block for the creation of various organic molecules.One key application of $name$ in chemical synthesis is as a precursor for the synthesis of heterocyclic compounds. By reacting $name$ with different reagents or functional groups, chemists can access a diverse range of heterocycles with potentially valuable biological activities. The presence of an amino group and the fused ring system in $name$ provides multiple entry points for derivatization, allowing for the introduction of additional substituents or functional groups to tailor the properties of the final compound.Furthermore, the ability of $name$ to undergo various types of chemical transformations, such as cyclization reactions or nucleophilic substitutions, enables its incorporation into more complex molecular frameworks. This versatility makes $name$ a valuable tool for synthetic chemists looking to access novel structures or functional materials for use in pharmaceuticals, materials science, or other research areas.In summary, 3-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one plays a crucial role in chemical synthesis by serving as a key intermediate for the construction of diverse heterocyclic compounds with potential applications across various fields of science and industry.