| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 17 | Yes |
Popular Name: 4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methyl)phenol dihydrochloride 4-({[(1-ethylpyrrolidin-2-yl)met…
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CAS Number: 1235439-59-4
| 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) | 1.81 | 3.58 | -41.43 | 3 | 3 | 1 | 40 | 235.351 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 4.36 | -61.61 | 2 | 3 | 0 | 43 | 234.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 5.09 | -33.17 | 3 | 3 | 1 | 37 | 235.351 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 5.92 | -118.91 | 4 | 3 | 2 | 41 | 236.359 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 198 - 200 | Enamine Building Blocks |
| MP | 198...200 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
