| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 13 | Yes |
Popular Name: N-(2-amino-1-benzylethyl)-N,N-dimethylamine N-(2-amino-1-benzylethyl)-N,N-di…
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CAS Number: 128899-95-6
| 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) | 0.94 | 2.86 | -47.39 | 3 | 2 | 1 | 31 | 179.287 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 5.16 | -29.25 | 3 | 2 | 1 | 30 | 179.287 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0948496A2; US6096753; WO1998024780A2 | IBM Patent Data |
