| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2013 | 16 | Yes |
Popular Name: 4-(n-Butylamino)benzoic acid ethyl ester 4-(n-Butylamino)benzoic acid eth…
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CAS Number: 94-32-6
| 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) | 2.63 | 7.01 | -44.07 | 2 | 3 | 1 | 43 | 220.292 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.68 | -5.33 | 1 | 3 | 0 | 38 | 219.284 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 220?/2mm | Alfa-Aesar |
| Melting_Point | 68-72? | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.