| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 14 | Yes |
Popular Name: propan-2-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)amine hydrochloride propan-2-yl(4,5,6,7-tetrahydro-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1094511-98-4 , 1208847-07-7
| 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) | 3.24 | 7.57 | -34.77 | 2 | 1 | 1 | 17 | 210.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.37 | -2.06 | 1 | 1 | 0 | 12 | 209.358 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 170 - 172 | Enamine Building Blocks |
| MP | 170...172 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
