| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 15 | Yes |
Popular Name: 4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid 4-(4-Aminophenyl)-3-methyl-4-oxo…
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CAS Numbers: 120757-13-3 , 42075-29-6 , [42075-29-6]
4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid hydrochloride
4-(4-Aminophenyl)-3-methyl-4-oxobutanoicacid
| 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) | 0.80 | 4.77 | -47.7 | 2 | 4 | -1 | 83 | 206.221 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | 2.79 | -8.04 | 3 | 4 | 0 | 80 | 207.229 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
