| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 13 | Yes |
Popular Name: 4-[1-(ethylamino)ethyl]benzonitrile hydrochloride 4-[1-(ethylamino)ethyl]benzonitr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1016816-17-3 , 1173033-87-8
| 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) | 2.19 | 6.37 | -47.32 | 2 | 2 | 1 | 40 | 175.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 5.13 | -4.82 | 1 | 2 | 0 | 36 | 174.247 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 302 - 304 | Enamine Building Blocks |
| MP | 302...304 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
