| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 11 | No |
Popular Name: 2-(4-Pyridyl)malondialdehyde 2-(4-Pyridyl)malondialdehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 51076-46-1 , [51076-46-1]
(E)-3-Hydroxy-2-(pyridin-4-yl)acrylaldehyde
(Z)-3-Hydroxy-2-(4-pyridyl)-2-propenal
| 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) | -0.28 | 2.77 | -34.23 | 0 | 3 | -1 | 53 | 148.141 | 2 | ↓ |
| Ref Reference (pH 7) | -0.28 | 2.78 | -33.06 | 0 | 3 | -1 | 53 | 148.141 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 1.86 | -19.42 | 0 | 3 | 0 | 47 | 149.149 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.28 | 1.36 | -40.34 | 2 | 3 | 1 | 51 | 150.157 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 219 - 221 | Enamine Building Blocks |
| MP | 219...221 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Mp [°C] | >320 | Acros Organics |
| MP | >320° | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| Warnings | Irritant | Matrix Scientific |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
| S phrase | S25: Avoid contact with eyes. | Acros Organics |
| S phrase | S25: Avoid contact with eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.