| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2011 | 18 | Yes |
Popular Name: MFCD07408088 MFCD07408088
Find On: PubMed — Wikipedia — Google
CAS Number: 892567-15-6
1,3-propanediamine, N-[[4-(diethylamino)phenyl]methyl]-N'-methyl-
| 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) | 2.41 | 6.21 | -37.42 | 3 | 3 | 1 | 32 | 250.41 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 6.29 | -67.65 | 4 | 3 | 0 | 33 | 251.418 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 7.67 | -25.58 | 5 | 3 | 0 | 38 | 252.426 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
