| CAS Number | 35517-18-1 |
| Catalog Number | AG01AHEP(AGN-PC-0RB3DQ) |
| Chemical Name | 2-(4-aminobutyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride |
| IUPAC Name | 2-(4-aminobutyl)isoindole-1,3-dione;hydrochloride |
| InChI | InChI=1S/C12H14N2O2.ClH/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16;/h1-2,5-6H,3-4,7-8,13H2;1H |
| InChI Key | RFOHHXVSYWABJP-UHFFFAOYSA-N |
| MDL Number | MFCD18483316 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | Cl.NCCCCN1C(=O)C2=C(C=CC=C2)C1=O |
| Synonyms | 2-(4-aminobutyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride,
35517-18-1,
N-(4-Aminobutyl)-phthalimide hydrochloride,
SCHEMBL7426685,
AKOS008093429,
MCULE-4192493187,
NE35945,
EN300-74461,
Z1266933853,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number