| CAS Number | 1601138-09-3 |
| Catalog Number | AG00ATGX |
| Chemical Name | 8-(2,2,2-Trifluoroethyl)-9H-purin-6-amine |
| IUPAC Name | 8-(2,2,2-trifluoroethyl)-7H-purin-6-amine |
| InChI | InChI=1S/C7H6F3N5/c8-7(9,10)1-3-14-4-5(11)12-2-13-6(4)15-3/h2H,1H2,(H3,11,12,13,14,15) |
| InChI Key | ZULXGRLCXKUHTK-UHFFFAOYSA-N |
| MDL Number | MFCD30607280 |
| Molecular Formula | C7H6F3N5 |
| Molecular Weight | 217.1512 |
| SMILES | Nc1ncnc2[nH]c(CC(F)(F)F)nc12 |
| Synonyms | 8-(2,2,2-Trifluoroethyl)-9H-purin-6-amine,
1601138-09-3,
SCHEMBL20399056,
AS-65088,
CS-0062117,
8-(2,2,2-trifluoroethyl)-7H-purin-6-amine,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.05753g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.15g/mol |
| Monoisotopic Mass | 217.05753g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number