| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 10 | Yes |
Popular Name: N1-(sec-Butyl)-N3-methyl-1,3-propanediamine N1-(sec-Butyl)-N3-methyl-1,3-pro…
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CAS Number: 1040692-90-7
| 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) | 1.36 | 3.66 | -100.25 | 4 | 2 | 2 | 33 | 146.278 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.15 | -34.83 | 3 | 2 | 1 | 29 | 145.27 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.5 | -36.92 | 3 | 2 | 1 | 29 | 145.27 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
