| CAS Number | 93897-97-3 |
| Catalog Number | AG01APK2(AGN-PC-0WCOEQ) |
| Chemical Name | 2-(2-Piperazin-1-ylethyl)-1H-isoindole-1,3(2H)-dione dihydrochloride |
| IUPAC Name | 2-(2-piperazin-1-ylethyl)isoindole-1,3-dione;dihydrochloride |
| InChI | InChI=1S/C14H17N3O2.2ClH/c18-13-11-3-1-2-4-12(11)14(19)17(13)10-9-16-7-5-15-6-8-16;;/h1-4,15H,5-10H2;2*1H |
| InChI Key | JISBVHXAZYPOHS-UHFFFAOYSA-N |
| MDL Number | MFCD08582805 |
| Molecular Formula | C14H19Cl2N3O2 |
| Molecular Weight | 332.2256 |
| SMILES | O=C1C2=CC=CC=C2C(N1CCN3CCNCC3)=O.Cl.Cl |
| Synonyms | 93897-97-3,
2-(2-piperazin-1-ylethyl)-1H-isoindole-1,3(2H)-dione dihydrochloride,
2-(2-(piperazin-1-yl)ethyl)isoindoline-1,3-dione dihydrochloride,
MFCD08582805,
AKOS026677198,
MCULE-5730778525,
L-4425,
F2196-0079,
2-[2-(Piperazin-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione dihydrochloride,
2-(2-piperazin-1-ylethyl)isoindole-1,3-dione;dihydrochloride,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.225g/mol |
| Monoisotopic Mass | 331.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number