| CAS Number | 879658-18-1 |
| Catalog Number | AG01B7QF |
| Chemical Name | 6-amino-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-onehydrochloride |
| IUPAC Name | 5-amino-3-methyl-1H-benzimidazol-2-one;hydrochloride |
| InChI | InChI=1S/C8H9N3O.ClH/c1-11-7-4-5(9)2-3-6(7)10-8(11)12;/h2-4H,9H2,1H3,(H,10,12);1H |
| InChI Key | NBDLIGCYOJQSSG-UHFFFAOYSA-N |
| MDL Number | MFCD28246306 |
| Molecular Formula | C8H10ClN3O |
| Molecular Weight | 199.6375 |
| SMILES | O=C1N(C)C2=CC(N)=CC=C2N1.[H]Cl |
| Synonyms | 6-Amino-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride,
879658-18-1,
SCHEMBL19384637,
MFCD20703785,
Z1981870338,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.638g/mol |
| Monoisotopic Mass | 199.051g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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