| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 9 | Yes |
Popular Name: 1-Methyl-1,4-diazepan-2-one 1-Methyl-1,4-diazepan-2-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60565-89-1 , 685859-01-2 , [60565-89-1] , [685859-01-2]
1-Methyl-1,4-diazepan-2-one hydrochloride
1-Methyl-1,4-diazepan-2-onehydrochloride
2H-1,4-diazepin-2-one, hexahydro-1-methyl
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.77 | 1.28 | -44.48 | 2 | 3 | 1 | 37 | 129.183 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.77 | 0.01 | -8.59 | 1 | 3 | 0 | 32 | 128.175 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
