| CAS Number | 1936337-16-4 |
| Catalog Number | AG01ANFL |
| Chemical Name | 4-(aminomethyl)-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 4-(aminomethyl)-2H-isoquinolin-1-one |
| InChI | InChI=1S/C10H10N2O/c11-5-7-6-12-10(13)9-4-2-1-3-8(7)9/h1-4,6H,5,11H2,(H,12,13) |
| InChI Key | ACMACVLGQJRPSL-UHFFFAOYSA-N |
| MDL Number | MFCD30476064 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | NCC1C2=C(C=CC=C2)C(=O)NC=1 |
| Synonyms | 4-(aminomethyl)-1,2-dihydroisoquinolin-1-one,
1936337-16-4,
ZINC307280947,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number