| CAS Number | 1955494-60-6 |
| Catalog Number | AG01C5RR |
| Chemical Name | 4(3H)-Pyrimidinone, 2-(aminomethyl)-6-methyl-, hydrochloride (1:2) |
| IUPAC Name | 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride |
| InChI | InChI=1S/C6H9N3O.2ClH/c1-4-2-6(10)9-5(3-7)8-4;;/h2H,3,7H2,1H3,(H,8,9,10);2*1H |
| InChI Key | XXPOYZKOKVLJAV-UHFFFAOYSA-N |
| MDL Number | MFCD29991495 |
| Molecular Formula | C6H10ClN3O |
| Molecular Weight | 175.6161 |
| SMILES | Cl.Cl.CC1N=C(CN)NC(=O)C=1 |
| Synonyms | 2-(aminomethyl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride,
1955494-60-6,
Z2467523276,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.027917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.07g/mol |
| Monoisotopic Mass | 211.027917g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number