| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 16 | Yes |
Popular Name: [3-(2H-1,3-benzodioxol-5-yloxy)-2-hydroxypropyl](methyl)amine [3-(2H-1,3-benzodioxol-5-yloxy)-…
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CAS Number: 1019624-92-0
| 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) | 1.02 | 0.4 | -44.02 | 3 | 5 | 1 | 65 | 226.252 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | -1.16 | -8.44 | 2 | 5 | 0 | 60 | 225.244 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 93 - 95 | Enamine Building Blocks |
| MP | 93...95 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
