| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 10 | Yes |
Popular Name: 3-[(3-Methoxypropyl)amino]propanenitrile 3-[(3-Methoxypropyl)amino]propan…
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CAS Number: 1040687-90-8
| 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) | -0.54 | 2.54 | -55.23 | 2 | 3 | 1 | 50 | 143.21 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | 1.13 | -7.59 | 1 | 3 | 0 | 45 | 142.202 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
