| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 17 | Yes |
Popular Name: MFCD10687268 MFCD10687268
Find On: PubMed — Wikipedia — Google
CAS Number: 1040688-44-5
1,3-propanediamine, N-[[4-(diethylamino)phenyl]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) | 1.43 | 4.33 | -42.03 | 4 | 3 | 1 | 43 | 236.383 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 5.24 | -38.71 | 4 | 3 | 1 | 46 | 236.383 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 5.78 | -25.31 | 6 | 3 | 0 | 49 | 238.399 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.41 | -72 | 5 | 3 | 0 | 44 | 237.391 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
