| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 18 | Yes |
Popular Name: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}diethylamine {2-amino-1-[4-(trifluoromethyl)p…
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CAS Number: 914635-97-5
| 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) | 2.38 | 4.62 | -49.06 | 3 | 2 | 1 | 31 | 261.311 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 6.78 | -33.62 | 3 | 2 | 1 | 30 | 261.311 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 6.73 | -134.13 | 4 | 2 | 2 | 32 | 262.319 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
