| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | No |
Popular Name: N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride N-butyl-N-(1,1-dioxidotetrahydro…
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CAS Numbers: 5553-21-9 , 76924-22-6
| 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) | 1.06 | 1.58 | -57.18 | 2 | 3 | 1 | 51 | 192.304 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 0.41 | -9.93 | 1 | 3 | 0 | 46 | 191.296 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 133 - 135 | Enamine Building Blocks |
| MP | 133...135 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
