| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 17 | Yes |
Popular Name: MFCD10687653 MFCD10687653
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CAS Number: 1040689-60-8
2-propanamine, 2-methyl-N-[2-[4-(1-methylethyl)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) | 4.48 | 7.82 | -35.21 | 2 | 2 | 1 | 26 | 236.379 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 6.56 | -2.19 | 1 | 2 | 0 | 21 | 235.371 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
