| CAS Number | 1026796-27-9 |
| Catalog Number | AG00H9U4(AGN-PC-0WCKNI) |
| Chemical Name | 2,5,7-triazaspiro[3.4]octane-6,8-dione hydrochloride |
| IUPAC Name | 2,5,7-triazaspiro[3.4]octane-6,8-dione;hydrochloride |
| InChI | InChI=1S/C5H7N3O2.ClH/c9-3-5(1-6-2-5)8-4(10)7-3;/h6H,1-2H2,(H2,7,8,9,10);1H |
| InChI Key | APFZBOWOQWUJFJ-UHFFFAOYSA-N |
| MDL Number | MFCD20688617 |
| Molecular Formula | C5H8ClN3O2 |
| Molecular Weight | 177.5889 |
| SMILES | C1C2(CN1)C(=O)NC(=O)N2.Cl |
| Synonyms | 1026796-27-9,
2,5,7-Triazaspiro[3.4]octane-6,8-dione hydrochloride,
2,5,7-TRIAZASPIRO[3.4]OCTANE-6,8-DIONE HCL,
MFCD20688617,
AKOS025403232,
AS-51515,
CS-0055607,
2,6,8-Triazaspiro[3.4]octane-5,7-dione hydrochloride,
APFZBOWOQWUJFJ-UHFFFAOYSA-N,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.588g/mol |
| Monoisotopic Mass | 177.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number