| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 17 | No |
Popular Name: (2E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one (2E)-1-(3,4-dimethoxyphenyl)-3-(…
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CAS Numbers: , 1057383-66-0 , 127172-22-9 , [127172-22-9]
(2E)-1-(3,4-Dimethoxyphenyl)-3-(dimethylamino)-prop-2-en-1-one
(E)-1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-2-propen-1-one
1-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
2-propen-1-one, 1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-, (2E)-
| 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) | 1.31 | 5.56 | -11.72 | 0 | 4 | 0 | 39 | 235.283 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 125 - 127 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.