| CAS Number | 309947-89-5 |
| Catalog Number | AG01BDQT |
| Chemical Name | tert-Butyl N-(6-Chloro-9H-purin-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(6-chloro-7H-purin-2-yl)carbamate |
| InChI | InChI=1S/C10H12ClN5O2/c1-10(2,3)18-9(17)16-8-14-6(11)5-7(15-8)13-4-12-5/h4H,1-3H3,(H2,12,13,14,15,16,17) |
| InChI Key | FVZGELOMTPFKMY-UHFFFAOYSA-N |
| MDL Number | MFCD18375345 |
| Molecular Formula | C10H12ClN5O2 |
| Molecular Weight | 269.6876 |
| SMILES | CC(C)(C)OC(=O)NC1=NC2=C(C(=N1)Cl)NC=N2 |
| Synonyms | tert-butyl N-(6-chloro-9H-purin-2-yl)carbamate,
309947-89-5,
SCHEMBL12072485,
ZINC34567254,
NE60913,
2-t-butyloxycarbonylamino-6-chloro-9hpurine,
2-(tert-Butoxycarbonylamino)-6-chloro-9H-purine,
tert-butyl (6-chloro-9h-purin-2-yl)carbamate,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.689g/mol |
| Monoisotopic Mass | 269.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number