| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2008 | 12 | No |
Popular Name: 2-[(Dimethylamino)methyl]benzaldehyde 2-[(Dimethylamino)methyl]benzald…
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CAS Numbers: 19886-78-3 , [19886-78-3]
| 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) | 1.48 | 6.3 | -43.1 | 1 | 2 | 1 | 22 | 164.228 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 3.88 | -5.6 | 0 | 2 | 0 | 20 | 163.22 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Stored under Argon | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.