| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 16 | Yes |
Popular Name: N-[2-(3,5-Dimethylphenoxy)ethyl]-2-butanamine N-[2-(3,5-Dimethylphenoxy)ethyl]…
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CAS Numbers: 1040692-27-0 , [1040692-27-0]
| 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) | 3.81 | 7.69 | -35.99 | 2 | 2 | 1 | 26 | 222.352 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 6.46 | -4.14 | 1 | 2 | 0 | 21 | 221.344 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
