| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | No |
Popular Name: 4-(4-methylpiperazino)benzaldehyde 4-(4-methylpiperazino)benzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1424939-17-2 , 27913-81-1 , 27913-99-1 , N/A , [27913-99-1]
1-(4-Formylphenyl)-4-methylpiperazine
4-(4-methyl-1-piperazinyl)benzaldehyde hydrochloride
4-(4-methylpiperazin-1-yl)benzaldehyde
4-(4-methylpiperazino)benzenecarbaldehyde
4-(4-Methylpiperazinyl)benzaldehyde
| 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) | 1.72 | 6.46 | -44.7 | 1 | 3 | 1 | 25 | 205.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 4.09 | -7.45 | 0 | 3 | 0 | 24 | 204.273 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 47 - 50 | KeyOrganics |
| MP | 47-50° | Matrix Scientific |
| MP | 49 - 51 | Enamine Building Blocks |
| MP | 49...51 | Enamine Building Blocks |
| Mp [°C] | 57 - 60 | Acros Organics |
| MP | 63 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
