Home Other Building Blocks 8-AMINO-3,7-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

8-AMINO-3,7-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

CAS No.:
5442-23-9
Catalog Number:
AG01E725
Molecular Formula:
C7H9N5O2
Molecular Weight:
195.1787
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Product Description
Catalog Number:
AG01E725
Chemical Name:
8-AMINO-3,7-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
CAS Number:
5442-23-9
Molecular Formula:
C7H9N5O2
Molecular Weight:
195.1787
MDL Number:
MFCD01435673
IUPAC Name:
8-amino-3,7-dimethylpurine-2,6-dione
InChI:
InChI=1S/C7H9N5O2/c1-11-3-4(9-6(11)8)12(2)7(14)10-5(3)13/h1-2H3,(H2,8,9)(H,10,13,14)
InChI Key:
MXHHMIFANDCKHZ-UHFFFAOYSA-N
SMILES:
Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C
NSC Number:
14280
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.076g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.182g/mol
Monoisotopic Mass:
195.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties