| CAS Number | 2044713-29-1 |
| Catalog Number | AG01BUPY |
| Chemical Name | 3-(aminomethyl)-2-benzyl-2,3-dihydro-1H-isoindol-1-one hydrochloride |
| IUPAC Name | 3-(aminomethyl)-2-benzyl-3H-isoindol-1-one;hydrochloride |
| InChI | InChI=1S/C16H16N2O.ClH/c17-10-15-13-8-4-5-9-14(13)16(19)18(15)11-12-6-2-1-3-7-12;/h1-9,15H,10-11,17H2;1H |
| InChI Key | JIHKVWTZSNVAFJ-UHFFFAOYSA-N |
| MDL Number | MFCD30476172 |
| Molecular Formula | C16H17ClN2O |
| Molecular Weight | 288.772 |
| SMILES | Cl.NCC1C2=C(C=CC=C2)C(=O)N1CC1=CC=CC=C1 |
| Synonyms | 3-(aminomethyl)-2-benzyl-2,3-dihydro-1H-isoindol-1-one hydrochloride,
2044713-29-1,
AKOS033969117,
Z2658866085,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.775g/mol |
| Monoisotopic Mass | 288.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number