| CAS Number | 1955506-42-9 |
| Catalog Number | AG01C4S3 |
| Chemical Name | 2-(aminomethyl)-3,4-dihydropyrimidin-4-one dihydrochloride |
| IUPAC Name | 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride |
| InChI | InChI=1S/C5H7N3O.2ClH/c6-3-4-7-2-1-5(9)8-4;;/h1-2H,3,6H2,(H,7,8,9);2*1H |
| InChI Key | DFORKZHGKMFLRX-UHFFFAOYSA-N |
| MDL Number | MFCD29906986 |
| Molecular Formula | C5H9Cl2N3O |
| Molecular Weight | 198.0505 |
| SMILES | Cl.Cl.NCC1NC(=O)C=CN=1 |
| Synonyms | 2-Aminomethyl-pyrimidin-4-ol dihydrochloride,
1955506-42-9,
2-(aminomethyl)-3,4-dihydropyrimidin-4-one dihydrochloride,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.047g/mol |
| Monoisotopic Mass | 197.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number