| CAS Number | 1955530-16-1 |
| Catalog Number | AG01B5Q8 |
| Chemical Name | 4-Methyl-1,4-diazepan-5-one dihydrochloride |
| IUPAC Name | 4-methyl-1,4-diazepan-5-one;dihydrochloride |
| InChI | InChI=1S/C6H12N2O.2ClH/c1-8-5-4-7-3-2-6(8)9;;/h7H,2-5H2,1H3;2*1H |
| InChI Key | SPLWEOYYFSUUKE-UHFFFAOYSA-N |
| MDL Number | MFCD30181199 |
| Molecular Formula | C6H14Cl2N2O |
| Molecular Weight | 201.0942 |
| SMILES | Cl.Cl.CN1C(=O)CCNCC1 |
| Synonyms | 4-methyl-1,4-diazepan-5-one dihydrochloride,
1955530-16-1,
Z2521981748,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.091g/mol |
| Monoisotopic Mass | 200.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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