| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 15 | Yes |
Popular Name: {2-[(3-bromophenyl)amino]ethyl}diethylamine {2-[(3-bromophenyl)amino]ethyl}d…
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CAS Number: 52158-54-0
| 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) | 3.36 | 7.26 | -39.6 | 2 | 2 | 1 | 16 | 272.21 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 4.96 | -2.6 | 1 | 2 | 0 | 15 | 271.202 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
