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Home > Other Building Blocks > 1146-79-8
1146-79-8 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-
CAS No: 1146-79-8 Catalog No: AG000EST MDL No:
Product Description
Catalog Number:
AG000EST
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-
CAS Number:
1146-79-8
Molecular Formula:
C12H18N4O2
Molecular Weight:
250.2969
IUPAC Name:
1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
InChI:
InChI=1S/C12H18N4O2/c1-8(2)5-6-16-7-13-10-9(16)11(17)15(4)12(18)14(10)3/h7-8H,5-6H2,1-4H3
InChI Key:
SUXGNVXVBNEMKX-UHFFFAOYSA-N
SMILES:
CC(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.302g/mol
Monoisotopic Mass:
250.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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