| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 13 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-N-ethylacetamide dihydrochloride 2-(1,4-diazepan-1-yl)-N-ethylace…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1172095-30-5 , 87055-38-7
| 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) | -0.11 | 0.96 | -37.17 | 3 | 4 | 1 | 46 | 186.279 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | 0.29 | -42.09 | 3 | 4 | 1 | 49 | 186.279 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | 2.26 | -111.4 | 4 | 4 | 2 | 50 | 187.287 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 221 - 223 | Enamine Building Blocks |
| MP | 221...223 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
