| CAS Number | 1797561-16-0 |
| Catalog Number | AG01B1EE |
| Chemical Name | 2-(2-aminoethyl)-5-chloro-1,2,3,4-tetrahydroisoquinolin-1-one hydrochloride |
| IUPAC Name | 2-(2-aminoethyl)-5-chloro-3,4-dihydroisoquinolin-1-one;hydrochloride |
| InChI | InChI=1S/C11H13ClN2O.ClH/c12-10-3-1-2-9-8(10)4-6-14(7-5-13)11(9)15;/h1-3H,4-7,13H2;1H |
| InChI Key | KQIGLRNTROQENI-UHFFFAOYSA-N |
| MDL Number | MFCD28012208 |
| Molecular Formula | C11H14Cl2N2O |
| Molecular Weight | 261.1477 |
| SMILES | Cl.NCCN1C(=O)C2=C(C(=CC=C2)Cl)CC1 |
| Synonyms | 2-(2-aminoethyl)-5-chloro-1,2,3,4-tetrahydroisoquinolin-1-one hydrochloride,
1797561-16-0,
AKOS026335628,
MCULE-2032891037,
Z1795818525,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.146g/mol |
| Monoisotopic Mass | 260.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number