200,000+ products from a single source!
sales@angenechem.com
117099-47-5 | 1H-Purine-2,6-dione, 3,9-dihydro-8-[(2-hydroxyethyl)methylamino]-1,3-dimethyl-
CAS No: 117099-47-5 Catalog No: AG000DPY MDL No:
Product Description
Catalog Number:
AG000DPY
Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-8-[(2-hydroxyethyl)methylamino]-1,3-dimethyl-
CAS Number:
117099-47-5
Molecular Formula:
C10H15N5O3
Molecular Weight:
253.2578
IUPAC Name:
8-[2-hydroxyethyl(methyl)amino]-1,3-dimethyl-7H-purine-2,6-dione
InChI:
InChI=1S/C10H15N5O3/c1-13(4-5-16)9-11-6-7(12-9)14(2)10(18)15(3)8(6)17/h16H,4-5H2,1-3H3,(H,11,12)
InChI Key:
AXUZUPDOONNMJX-UHFFFAOYSA-N
SMILES:
OCCN(c1nc2c([nH]1)n(C)c(=O)n(c2=O)C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.262g/mol
Monoisotopic Mass:
253.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.