| CAS Number | 1258650-96-2 |
| Catalog Number | AG01AAQP |
| Chemical Name | 1-(1H-purin-6-yl)piperidin-4-amine dihydrochloride |
| IUPAC Name | 1-(7H-purin-6-yl)piperidin-4-amine;dihydrochloride |
| InChI | InChI=1S/C10H14N6.2ClH/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10;;/h5-7H,1-4,11H2,(H,12,13,14,15);2*1H |
| InChI Key | SMZWGQQFUVHAIF-UHFFFAOYSA-N |
| MDL Number | MFCD17480389 |
| Molecular Formula | C10H16Cl2N6 |
| Molecular Weight | 291.1802 |
| SMILES | Cl.Cl.NC1CCN(C2=C3C(=NC=N3)N=CN2)CC1 |
| Synonyms | 1-(1H-purin-6-yl)piperidin-4-amine dihydrochloride,
1258650-96-2,
AC1Q3ASY,
MCULE-9546926951,
NE49622,
EN300-69316,
Z1263714132,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.18g/mol |
| Monoisotopic Mass | 290.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number