| CAS Number | 1313026-86-6 |
| Catalog Number | AG000VW2(AGN-PC-0WA5SW) |
| Chemical Name | 9H-Purine, 2,6-dichloro-8-methyl-9-(1-methylethyl)- |
| IUPAC Name | 2,6-dichloro-8-methyl-9-propan-2-ylpurine |
| InChI | InChI=1S/C9H10Cl2N4/c1-4(2)15-5(3)12-6-7(10)13-9(11)14-8(6)15/h4H,1-3H3 |
| InChI Key | CAZPSBRBADZWAY-UHFFFAOYSA-N |
| MDL Number | MFCD18432767 |
| Molecular Formula | C9H10Cl2N4 |
| Molecular Weight | 245.1085 |
| SMILES | CC(N1C(C)=NC2=C(Cl)N=C(Cl)N=C12)C |
| Synonyms | 2,6-DICHLORO-9-ISOPROPYL-8-METHYL-9H-PURINE,
1313026-86-6,
2,6-dichloro-8-methyl-9-(propan-2-yl)-9H-purine,
SCHEMBL6901185,
KS-000003LB,
MFCD18432767,
ZINC72193752,
AKOS015949466,
PB28766,
RP09373,
AK165407,
AS-33657,
2,6-Dichloro-9-isopropyl-8-methyl-purine,
CS-0052133,
Q-2008,
9H-Purine, 2,6-dichloro-8-methyl-9-(1-methylethyl)-,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.107g/mol |
| Monoisotopic Mass | 244.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number