| CAS Number | 1464851-21-5 |
| Catalog Number | AG01EORH(AGN-PC-3H46I6) |
| Chemical Name | (Z)-9-Propenyladenine |
| IUPAC Name | 9-[(Z)-prop-1-enyl]purin-6-amine |
| InChI | InChI=1S/C8H9N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h2-5H,1H3,(H2,9,10,11)/b3-2- |
| InChI Key | ACWCANXGLNLMJB-IHWYPQMZSA-N |
| MDL Number | MFCD30718180 |
| Molecular Formula | C8H9N5 |
| Molecular Weight | 175.1906 |
| SMILES | N1C2C(=NC=NC=2N)N(/C=CC)C=1 |
| Synonyms | (Z)-9-Propenyladenine,
1464851-21-5,
MFCD30718180,
ZINC95936042,
AKOS032944799,
CS-6247,
HY-100079A,
9-[(Z)-1-Propenyl]-9H-purine-6-amine,
(Z)-9-(prop-1-en-1-yl)-9H-purin-6-amine,
(Z)-Mutagenic Impurity of Tenofovir Disoproxil,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 175.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.195g/mol |
| Monoisotopic Mass | 175.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number