| CAS Number | 1955498-69-7 |
| Catalog Number | AG01C4LN |
| Chemical Name | 2-(Aminomethyl)-3,4-dihydroquinazolin-4-one dihydrochloride |
| IUPAC Name | 2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride |
| InChI | InChI=1S/C9H9N3O.2ClH/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8;;/h1-4H,5,10H2,(H,11,12,13);2*1H |
| InChI Key | JFITWZBSSYVVQN-UHFFFAOYSA-N |
| MDL Number | MFCD29763169 |
| Molecular Formula | C9H11Cl2N3O |
| Molecular Weight | 248.1091 |
| SMILES | Cl.Cl.NCC1NC(=O)C2=C(C=CC=C2)N=1 |
| Synonyms | 1955498-69-7,
2-(aminomethyl)-3,4-dihydroquinazolin-4-one dihydrochloride,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.107g/mol |
| Monoisotopic Mass | 247.028g/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
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