Benzoic acid,4-[[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]amino]-


Chemical Name: Benzoic acid,4-[[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]amino]-
CAS Number: 7000-61-5
Product Number: AG0033VS(AGN-PC-0TXIK2)
Synonyms:
MDL No:
Molecular Formula: C15H15N5O4
Molecular Weight: 329.3107

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
329.316g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
329.112g/mol
Monoisotopic Mass:
329.112g/mol
Topological Polar Surface Area:
119A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
534
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


NMR Spectrum


Other Analytical Data


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