| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 22 | Yes |
Popular Name: MFCD10687659 MFCD10687659
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CAS Number: 1040689-97-1
2-propanamine, N-[2-[2,4-bis(1,1-dimethylethyl)phenoxy]ethyl]-2-methyl-
DIBUTYLPHENOXYETHYLMETHYLPROPANAMIN
N-{2-[2,4-Di(tert-butyl)phenoxy]ethyl}-2-methyl-2-propanamine
| 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) | 6.31 | 10.97 | -37.1 | 2 | 2 | 1 | 26 | 306.514 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.31 | 9.71 | -1.56 | 1 | 2 | 0 | 21 | 305.506 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
