| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 13 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-N,N-dimethylacetamide 2-(1,4-diazepan-1-yl)-N,N-dimeth…
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CAS Number: 87055-44-5
None
| 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) | -1.18 | 1.5 | -42.1 | 2 | 4 | 1 | 40 | 186.279 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.18 | 2.03 | -37.61 | 2 | 4 | 1 | 37 | 186.279 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.18 | 3.42 | -109.56 | 3 | 4 | 2 | 41 | 187.287 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 201 - 203 | Enamine Building Blocks |
| MP | 201...203 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
