| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 10 | Yes |
Popular Name: 1-Isopropyl-[1,4]diazepane 1-Isopropyl-[1,4]diazepane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 59039-61-1 , 851048-47-0
| 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) | 0.58 | 2.17 | -35.24 | 2 | 2 | 1 | 20 | 143.254 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.58 | 2.96 | -29.4 | 2 | 2 | 1 | 16 | 143.254 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.58 | 0.95 | -0.65 | 1 | 2 | 0 | 15 | 142.246 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 76-78°/11mm | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >97% | Fluorochem |
