| CAS Number | 1255717-52-2 |
| Catalog Number | AG00J17M(AGN-PC-0WB6GI) |
| Chemical Name | 1-(2-aminoethyl)-1,2-dihydro-3,6-pyridazinedione hydrochloride |
| IUPAC Name | 2-(2-aminoethyl)-1H-pyridazine-3,6-dione;hydrochloride |
| InChI | InChI=1S/C6H9N3O2.ClH/c7-3-4-9-6(11)2-1-5(10)8-9;/h1-2H,3-4,7H2,(H,8,10);1H |
| InChI Key | CDOCBUDXPUDEKZ-UHFFFAOYSA-N |
| MDL Number | MFCD13186140 |
| Molecular Formula | C6H10ClN3O2 |
| Molecular Weight | 191.6155 |
| SMILES | N1(CCN)C(=O)C=CC(=O)N1.Cl |
| Synonyms | 1255717-52-2,
1-(2-Aminoethyl)-1,2-dihydro-3,6-pyridazinedione hydrochloride,
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione hydrochloride,
ZX-CM003338,
MFCD13186140,
AKOS027426208,
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione hydrochloride, AldrichCPR,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.615g/mol |
| Monoisotopic Mass | 191.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number