| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2008 | 12 | Yes |
Popular Name: 3-[(pyridin-4-ylmethyl)amino]propan-1-ol 3-[(pyridin-4-ylmethyl)amino]pro…
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CAS Number: 7251-62-9
2-(4-Chlorophenoxy)-N-ethylethanamine
3-((4-pyridinylmethyl)amino)-1-propanol; 7251-62-9; nsc65652
3-((Pyridin-4-ylmethyl)amino)propan-1-ol
3-[(4-pyridinylmethyl)amino]-1-propanol
3-[(4-pyridinylmethyl)amino]-1-propanol hydrochloride
| 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) | -0.15 | 0.9 | -46.82 | 3 | 3 | 1 | 50 | 167.232 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | -0.45 | -6.03 | 2 | 3 | 0 | 45 | 166.224 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.