| CAS Number | 182067-74-9 |
| Catalog Number | AG01A1CD |
| Chemical Name | 2-(morpholin-2-ylmethyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride |
| IUPAC Name | 2-(morpholin-2-ylmethyl)isoindole-1,3-dione;hydrochloride |
| InChI | InChI=1S/C13H14N2O3.ClH/c16-12-10-3-1-2-4-11(10)13(17)15(12)8-9-7-14-5-6-18-9;/h1-4,9,14H,5-8H2;1H |
| InChI Key | JJTYLKNMIXUFHG-UHFFFAOYSA-N |
| MDL Number | MFCD14583104 |
| Molecular Formula | C13H15ClN2O3 |
| Molecular Weight | 282.7228 |
| SMILES | Cl.O=C1C2=C(C=CC=C2)C(=O)N1CC1OCCNC1 |
| Synonyms | 182067-74-9,
2-(morpholin-2-ylmethyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride,
MCULE-2216715837,
NE42388,
Z1463350069,
2-[(morpholin-2-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride,
2-(morpholin-2-ylmethyl)-2,3-dihydro-1H-isoindole -1,3-dione hydrochloride,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.724g/mol |
| Monoisotopic Mass | 282.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number