| CAS Number | 2031259-11-5 |
| Catalog Number | AG01BUVV |
| Chemical Name | 4-amino-2-methyl-1,2,3,4-tetrahydroisoquinolin-3-one hydrochloride |
| IUPAC Name | 4-amino-2-methyl-1,4-dihydroisoquinolin-3-one;hydrochloride |
| InChI | InChI=1S/C10H12N2O.ClH/c1-12-6-7-4-2-3-5-8(7)9(11)10(12)13;/h2-5,9H,6,11H2,1H3;1H |
| InChI Key | KHYQPHQWJRYJSQ-UHFFFAOYSA-N |
| MDL Number | MFCD30345419 |
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.6760 |
| SMILES | Cl.CN1C(=O)C(N)C2=C(C=CC=C2)C1 |
| Synonyms | 4-amino-2-methyl-1,2,3,4-tetrahydroisoquinolin-3-one hydrochloride,
2031259-11-5,
Z2630950966,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.677g/mol |
| Monoisotopic Mass | 212.072g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number