| CAS Number | 118206-31-8 |
| Catalog Number | AG0097HS(AGN-PC-0NZIQM) |
| Chemical Name | 5-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| IUPAC Name | 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one |
| InChI | InChI=1S/C10H12N2O/c1-12-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3 |
| InChI Key | KZGROFOZYOFEFZ-UHFFFAOYSA-N |
| MDL Number | MFCD20716953 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | NC1=C2CCN(C(C2=CC=C1)=O)C |
| Synonyms | 118206-31-8,
5-Amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one,
5-amino-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one,
ZINC75566596,
AKOS022639462,
KS-9162,
Z2568757968,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number