| CAS Number | 261787-78-4 |
| Catalog Number | AG01ELOB |
| Chemical Name | 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanimidamide hydrochloride |
| IUPAC Name | 3-(1,3-dioxoisoindol-2-yl)propanimidamide;hydrochloride |
| InChI | InChI=1S/C11H11N3O2.ClH/c12-9(13)5-6-14-10(15)7-3-1-2-4-8(7)11(14)16;/h1-4H,5-6H2,(H3,12,13);1H |
| InChI Key | ZLLFSWNFEMJNKW-UHFFFAOYSA-N |
| MDL Number | MFCD22576850 |
| Molecular Formula | C11H12ClN3O2 |
| Molecular Weight | 253.6849 |
| SMILES | Cl.NC(CCN1C(=O)C2=C(C=CC=C2)C1=O)=N |
| Synonyms | SCHEMBL6945018,
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanimidamide hydrochloride,
261787-78-4,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.686g/mol |
| Monoisotopic Mass | 253.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number