| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 19 | Yes |
Popular Name: MFCD10687689 MFCD10687689
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CAS Number: 1040692-06-5
1-butanamine, N-[2-[4-(1,1-dimethylpropyl)phenoxy]ethyl]-
| 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) | 4.90 | 9.33 | -38.81 | 2 | 2 | 1 | 26 | 264.433 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.90 | 7.86 | -3.56 | 1 | 2 | 0 | 21 | 263.425 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
