| CAS Number | 49837-96-9 |
| Catalog Number | AG01ASYX(AGN-PC-0WCNO4) |
| Chemical Name | 4-(Aminomethyl)-2-methylphthalazin-1(2H)-one hydrochloride |
| IUPAC Name | 4-(aminomethyl)-2-methylphthalazin-1-one;hydrochloride |
| InChI | InChI=1S/C10H11N3O.ClH/c1-13-10(14)8-5-3-2-4-7(8)9(6-11)12-13;/h2-5H,6,11H2,1H3;1H |
| InChI Key | UYHYOQLZHHWWTK-UHFFFAOYSA-N |
| MDL Number | MFCD28016968 |
| Molecular Formula | C10H12ClN3O |
| Molecular Weight | 225.6748 |
| SMILES | Cl.CN1C(=O)C2=C(C=CC=C2)C(CN)=N1 |
| Synonyms | 4-(aminomethyl)-2-methylphthalazin-1(2H)-one hydrochloride,
49837-96-9,
AKOS026676880,
F2135-1176,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.676g/mol |
| Monoisotopic Mass | 225.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number