| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 16 | Yes |
Popular Name: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methylbutan-1-amine hydrochloride 2-(3,4-dihydroisoquinolin-2(1H)-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1170042-02-0 , 953746-93-5
| 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) | 1.65 | 4.67 | -45.17 | 3 | 2 | 1 | 31 | 219.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 5.91 | -31.32 | 3 | 2 | 1 | 30 | 219.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 6.29 | -124.62 | 4 | 2 | 2 | 32 | 220.36 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 179 - 181 | Enamine Building Blocks |
| MP | 179...181 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
