| CAS Number | 185408-97-3 |
| Catalog Number | AG01C1M9(AGN-PC-0O5EFV) |
| Chemical Name | 2-chloro-N-phenyl-7H-purin-6-amine |
| IUPAC Name | 2-chloro-N-phenyl-7H-purin-6-amine |
| InChI | InChI=1S/C11H8ClN5/c12-11-16-9-8(13-6-14-9)10(17-11)15-7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16,17) |
| InChI Key | HKFOFMISVJXDFK-UHFFFAOYSA-N |
| MDL Number | MFCD25960346 |
| Molecular Formula | C11H8ClN5 |
| Molecular Weight | 245.6677 |
| SMILES | ClC1=NC2=C(NC=N2)C(NC2=CC=CC=C2)=N1 |
| Synonyms | 2-Chloro-6-anilinopurine,
2-chloro-N-phenyl-7H-purin-6-amine,
CHEMBL519852,
185408-97-3,
SCHEMBL3001378,
2chloro-6-(phenyl-amino)-purine,
HKFOFMISVJXDFK-UHFFFAOYSA-N,
2-chloro-6-(phenyl-amino)-purine,
BDBM50274469,
ZINC39151515,
2-Chloro-N-phenyl-9H-purin-6-amine,
SR-01000654390,
SR-01000654390-1,
CID10658048,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.67g/mol |
| Monoisotopic Mass | 245.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number