| CAS Number | 54931-59-8 |
| Catalog Number | AG01B8YH |
| Chemical Name | 7-amino-2-methyl-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 7-amino-2-methylisoquinolin-1-one |
| InChI | InChI=1S/C10H10N2O/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-6H,11H2,1H3 |
| InChI Key | IFEZWBRGVNSRGD-UHFFFAOYSA-N |
| MDL Number | MFCD28383769 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | CN1C(=O)C2=C(C=CC(=C2)N)C=C1 |
| Synonyms | 7-amino-2-methyl-1,2-dihydroisoquinolin-1-one,
54931-59-8,
SCHEMBL16455687,
AKOS023872533,
ZINC196375027,
Z2037266858,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number