2-[2-(dimethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione


Chemical Name: 2-[2-(dimethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione
CAS Number: 54824-17-8
Product Number: AG00DFI7(AGN-PC-0JM57O)
Synonyms:
MDL No:
Molecular Formula: C16H15N3O4
Molecular Weight: 313.308

Identification/Properties


Computed Properties
Molecular Weight:
313.313g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
313.106g/mol
Monoisotopic Mass:
313.106g/mol
Topological Polar Surface Area:
86.4A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
516
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

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NMR Spectrum


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