| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 13 | Yes |
Popular Name: N-(2,5-Dimethylbenzyl)ethane-1,2-diamine N-(2,5-Dimethylbenzyl)ethane-1,2…
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CAS Numbers: 953072-19-0 , [953072-19-0]
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| 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) | 1.13 | 3.8 | -122.61 | 5 | 2 | 2 | 44 | 180.295 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 2.38 | -44.71 | 4 | 2 | 1 | 40 | 179.287 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 3.47 | -37.63 | 4 | 2 | 1 | 43 | 179.287 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
