| CAS Number | 42792-97-2 |
| Catalog Number | AG01B8K8 |
| Chemical Name | 5-amino-2-methyl-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 5-amino-2-methylisoquinolin-1-one |
| InChI | InChI=1S/C10H10N2O/c1-12-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-6H,11H2,1H3 |
| InChI Key | RGOCAJHJUPXFMV-UHFFFAOYSA-N |
| MDL Number | MFCD00489148 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | NC1=C2C=CN(C(C2=CC=C1)=O)C |
| Synonyms | 5-amino-2-methyl-1,2-dihydroisoquinolin-1-one,
42792-97-2,
SCHEMBL564816,
RGOCAJHJUPXFMV-UHFFFAOYSA-N,
5-amino-2-methylisoquinolin-1-one,
ZINC75564466,
5-amino-2-methylisoquinol-1(2H)-one,
5-amino-2-methyl-1(2H)-isoquinolinone,
5-Amino-2-methyl-2H-isoquinolin-1-one,
5-amino-2-methyl-1(2H)-isoquinolinon,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number