| CAS Number | 1062592-41-9 |
| Catalog Number | AG00975O(AGN-PC-0WCMQZ) |
| Chemical Name | 2-Chloro-N-(4-chlorophenyl)-9-methyl-9H-purin-6-amine |
| IUPAC Name | 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine |
| InChI | InChI=1S/C12H9Cl2N5/c1-19-6-15-9-10(17-12(14)18-11(9)19)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17,18) |
| InChI Key | PAUVGXDGVUVGAL-UHFFFAOYSA-N |
| MDL Number | MFCD28142676 |
| Molecular Formula | C12H9Cl2N5 |
| Molecular Weight | 294.1394 |
| SMILES | Clc1ccc(cc1)Nc1nc(Cl)nc2c1ncn2C |
| Synonyms | 2-Chloro-N-(4-chlorophenyl)-9-methyl-9H-purin-6-amine,
1062592-41-9,
SCHEMBL183098,
PAUVGXDGVUVGAL-UHFFFAOYSA-N,
MFCD28142676,
AKOS025396387,
ZINC113268897,
AK174149,
(2-chloro-9-methyl-9H-purin-6-yl)(4-chloro-phenyl)-amine,
(2-Chloro-9-methyl-9H-purin-6-yl)-(4-chloro-phenyl)amine,
(2-chloro-9-methyl-9H-purin-6-yl)-(4-chloro-phenyl)-amine,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.139g/mol |
| Monoisotopic Mass | 293.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number