| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 17 | Yes |
Popular Name: [3-(2H-1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl](methyl)amine [3-(2H-1,3-benzodioxol-5-ylmetho…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1019477-36-1 , 1210154-61-2
| 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) | 0.92 | 0.9 | -41.33 | 3 | 5 | 1 | 65 | 240.279 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | -0.59 | -7.72 | 2 | 5 | 0 | 60 | 239.271 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 94 - 96 | Enamine Building Blocks |
| MP | 94...96 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
