| CAS Number | 686344-72-9 |
| Catalog Number | AG00FHO4(AGN-PC-0TTAA1) |
| Chemical Name | 5-methyl-2,5,7-triazaspiro[3.4]octan-8-one hydrochloride |
| IUPAC Name | 5-methyl-2,5,7-triazaspiro[3.4]octan-8-one;hydrochloride |
| InChI | InChI=1S/C6H11N3O.ClH/c1-9-4-8-5(10)6(9)2-7-3-6;/h7H,2-4H2,1H3,(H,8,10);1H |
| InChI Key | QOMXFIHPNMFPTD-UHFFFAOYSA-N |
| MDL Number | MFCD20662824 |
| Molecular Formula | C6H12ClN3O |
| Molecular Weight | 177.6320 |
| SMILES | Cl.CN1C2(CNC2)C(=O)NC1 |
| Synonyms | QOMXFIHPNMFPTD-UHFFFAOYSA-N,
CS-0089471,
5-Methyl-2,5,7-triazaspiro[3.4]octan-8-one hydrochloride,
5-Methyl-2,5,7-triazaspiro[3,4]octan-8-one, Hydrochloride Salt,
5-Methyl-2,5,7-triazaspiro[3.4]octan-8-one, Hydrochloride Salt,
5-Methyl-2,5,7-triazaspiro[3.4]octan-8-one. Hydrochloride Salt,
686344-72-9,
5-METHYL-2,5,7-TRIAZASPIRO[3.4]OCTAN-8-ONE,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.632g/mol |
| Monoisotopic Mass | 177.067g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number