| CAS Number | 175695-32-6 |
| Catalog Number | AG00ARZU |
| Chemical Name | tert-Butyl 2-(2-amino-6-chloro-9H-purin-9-yl)acetate |
| IUPAC Name | tert-butyl 2-(2-amino-6-chloropurin-9-yl)acetate |
| InChI | InChI=1S/C11H14ClN5O2/c1-11(2,3)19-6(18)4-17-5-14-7-8(12)15-10(13)16-9(7)17/h5H,4H2,1-3H3,(H2,13,15,16) |
| InChI Key | ZRKRPDZEHCMYSH-UHFFFAOYSA-N |
| MDL Number | MFCD31629394 |
| Molecular Formula | C11H14ClN5O2 |
| Molecular Weight | 283.7142 |
| SMILES | CC(OC(CN1C2=C(C(=NC(=N2)N)Cl)N=C1)=O)(C)C |
| Synonyms | 175695-32-6,
tert-butyl (6-chloro-2-aminopurin-9-yl)ethanoate,
tert-butyl 2-(2-amino-6-chloro-9H-purin-9-yl)acetate,
2-Amino-6-chloro-9H-purine-9-acetic acid tert-butyl ester,
CID11000556,
Tert-butyl 2-(2-amino-6-chloro-purin-9-yl)acetate,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.716g/mol |
| Monoisotopic Mass | 283.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number