| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 16 | No |
Popular Name: 4-((4-Ethylphenyl)amino)-4-oxobut-2-enoic acid 4-((4-Ethylphenyl)amino)-4-oxobu…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1231937-73-7 , 324067-34-7
(2E)-4-[(4-ethylphenyl)amino]-4-oxobut-2-enoic acid
(E)-4-(4-ethylanilino)-4-oxo-2-butenoic acid
4-(4-ethylanilino)-4-oxo-2-butenoic acid
4-(4-ethylanilino)-4-oxo-2-butenoicacid
| 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) | 1.80 | 5.19 | -47.85 | 1 | 4 | -1 | 69 | 218.232 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 134 - 136 | KeyOrganics |
| MP | 184-186° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
