| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 11 | Yes |
Popular Name: N1-(sec-Butyl)-N3-ethyl-1,3-propanediamine N1-(sec-Butyl)-N3-ethyl-1,3-prop…
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CAS Number: 1040692-96-3
| 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) | 1.39 | 4.49 | -100.79 | 4 | 2 | 2 | 33 | 160.305 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 3.09 | -34.82 | 3 | 2 | 1 | 29 | 159.297 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 3.19 | -36.21 | 3 | 2 | 1 | 29 | 159.297 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
