| CAS Number | 1170187-60-6 |
| Catalog Number | AG00J3FG(AGN-PC-0WB84X) |
| Chemical Name | 2-[(methylamino)methyl]-4(3H)-quinazolinone hydrochloride |
| IUPAC Name | 2-(methylaminomethyl)-3H-quinazolin-4-one;hydrochloride |
| InChI | InChI=1S/C10H11N3O.ClH/c1-11-6-9-12-8-5-3-2-4-7(8)10(14)13-9;/h2-5,11H,6H2,1H3,(H,12,13,14);1H |
| InChI Key | MXPJUNGAGOKXFD-UHFFFAOYSA-N |
| MDL Number | MFCD08447155 |
| Molecular Formula | C10H12ClN3O |
| Molecular Weight | 225.6748 |
| SMILES | C1(=O)C2=CC=CC=C2N=C(CNC)N1.Cl |
| Synonyms | 1170187-60-6,
2-[(methylamino)methyl]quinazolin-4(3H)-one hydrochloride,
2-((methylamino)methyl)quinazolin-4(3H)-one hydrochloride,
2-[(methylamino)methyl]-3,4-dihydroquinazolin-4-one hydrochloride,
2-[(Methylamino)methyl]-4(3H)-quinazolinone hydrochloride,
AC1Q3BTC,
CTK6I5516,
MFCD08447155,
AKOS026676791,
NE51731,
EN300-06678,
F8887-5803,
2-(methylaminomethyl)-1H-quinazolin-4-one;hydrochloride,
|
| Complexity | 262 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.676g/mol |
| Monoisotopic Mass | 225.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number