| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 19 | Yes |
Popular Name: {[5-(4-tert-butylphenyl)thiophen-2-yl]methyl}(ethyl)amine hydrochloride {[5-(4-tert-butylphenyl)thiophen…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1095144-16-3 , 1315368-49-0
| 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) | 5.40 | 10.45 | -38.66 | 2 | 1 | 1 | 17 | 274.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.40 | 9.08 | -2.79 | 1 | 1 | 0 | 12 | 273.445 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 226 - 228 | Enamine Building Blocks |
| MP | 226...228 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
