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138753-80-7 | Benzamide, N-[7-(2-aminoethyl)-6,7-dihydro-6-oxo-1H-purin-2-yl]-
CAS No: 138753-80-7 Catalog No: AG0019GM MDL No:
Product Description
Catalog Number:
AG0019GM
Chemical Name:
Benzamide, N-[7-(2-aminoethyl)-6,7-dihydro-6-oxo-1H-purin-2-yl]-
CAS Number:
138753-80-7
Molecular Formula:
C14H14N6O2
Molecular Weight:
298.3000
IUPAC Name:
N-[7-(2-aminoethyl)-6-oxo-1H-purin-2-yl]benzamide
InChI:
InChI=1S/C14H14N6O2/c15-6-7-20-8-16-11-10(20)13(22)19-14(17-11)18-12(21)9-4-2-1-3-5-9/h1-5,8H,6-7,15H2,(H2,17,18,19,21,22)
InChI Key:
KUWJGUZLWKIVAY-UHFFFAOYSA-N
SMILES:
NCCn1cnc2c1c(=O)[nH]c(n2)NC(=O)c1ccccc1
NSC Number:
639791
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.306g/mol
Monoisotopic Mass:
298.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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