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75680-88-5 | 1H-Purine-2,6-dione, 8-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-
CAS No: 75680-88-5 Catalog No: AG005IXK MDL No:
Product Description
Catalog Number:
AG005IXK
Chemical Name:
1H-Purine-2,6-dione, 8-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-
CAS Number:
75680-88-5
Molecular Formula:
C9H13N5O2
Molecular Weight:
223.2318
IUPAC Name:
8-(2-aminoethyl)-1,3-dimethyl-7H-purine-2,6-dione
InChI:
InChI=1S/C9H13N5O2/c1-13-7-6(8(15)14(2)9(13)16)11-5(12-7)3-4-10/h3-4,10H2,1-2H3,(H,11,12)
InChI Key:
QMDSHLSBEFNKAQ-UHFFFAOYSA-N
SMILES:
NCCc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.236g/mol
Monoisotopic Mass:
223.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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