| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 9 | Yes |
Popular Name: 2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptanedi-trifluoro-acetic acid salt 2-Ethyl-2,5-diaza-bicyclo[2.2.1]…
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CAS Numbers: 1208077-97-7 , 845866-61-7
(1S,4S)-2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane di-trifluoro-acetic acid salt
2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane
2-Ethyl-2,5-diazabicyclo[2.2.1]heptane
| 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) | 0.47 | 0.85 | -38.11 | 2 | 2 | 1 | 20 | 127.211 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 1.86 | -31.5 | 2 | 2 | 1 | 16 | 127.211 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 125-126° | Oakwood Chemical |
