| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 12 | Yes |
Popular Name: 3-{[2-(Diethylamino)ethyl]amino}propanenitrile 3-{[2-(Diethylamino)ethyl]amino}…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 41832-86-4 , [41832-86-4]
| 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) | -0.01 | 4.17 | -39.39 | 2 | 3 | 1 | 40 | 170.28 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.01 | 1.95 | -6.5 | 1 | 3 | 0 | 39 | 169.272 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.01 | 5.56 | -127.85 | 3 | 3 | 2 | 45 | 171.288 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
