| CAS Number | 1315368-42-3 |
| Catalog Number | AG01AJ67 |
| Chemical Name | 7-amino-1,2,3,4-tetrahydroisoquinolin-1-one hydrochloride |
| IUPAC Name | 7-amino-3,4-dihydro-2H-isoquinolin-1-one;hydrochloride |
| InChI | InChI=1S/C9H10N2O.ClH/c10-7-2-1-6-3-4-11-9(12)8(6)5-7;/h1-2,5H,3-4,10H2,(H,11,12);1H |
| InChI Key | IMMVVYYLKFAGLH-UHFFFAOYSA-N |
| MDL Number | MFCD19382093 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | Cl.NC1=CC2=C(CCNC2=O)C=C1 |
| Synonyms | 7-amino-1,2,3,4-tetrahydroisoquinolin-1-one hydrochloride,
1315368-42-3,
AKOS015997209,
MCULE-3983270411,
NE50810,
EN300-79873,
7-Amino-3,4-dihydro-1(2H)-isoquinolinone hydrochloride,
Z1269638456,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number