| CAS Number | 643087-29-0 |
| Catalog Number | AG01B5D2(AGN-PC-03Y45W) |
| Chemical Name | 6-Amino-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one |
| IUPAC Name | 6-amino-2-methyl-3,4-dihydroisoquinolin-1-one |
| InChI | InChI=1S/C10H12N2O/c1-12-5-4-7-6-8(11)2-3-9(7)10(12)13/h2-3,6H,4-5,11H2,1H3 |
| InChI Key | FWPPPTIFLPLVOD-UHFFFAOYSA-N |
| MDL Number | MFCD20721270 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | CN1CCC2=CC(=CC=C2C1=O)N |
| Synonyms | 643087-29-0,
6-amino-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one,
6-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one,
SCHEMBL18053937,
ZINC71494624,
AKOS022534692,
KS-9191,
Z2517219346,
1(2H)-Isoquinolinone, 6-amino-3,4-dihydro-2-methyl-,
|
| 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