| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 17 | Yes |
Popular Name: {[5-(3-methylphenyl)thiophen-2-yl]methyl}(propan-2-yl)amine hydrochloride {[5-(3-methylphenyl)thiophen-2-y…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1095235-71-4 , 1221724-39-5
| 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) | 4.41 | 9.32 | -37.34 | 2 | 1 | 1 | 17 | 246.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 8.1 | -3.71 | 1 | 1 | 0 | 12 | 245.391 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 197 - 199 | Enamine Building Blocks |
| MP | 197...199 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
