| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 20 | No |
Popular Name: methyl 2-(4-methylpiperazino)-5-nitrobenzenecarboxylate methyl 2-(4-methylpiperazino)-5-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 735213-47-5 , N/A
Methyl 2-(4-methylpiperazin-1-yl)-5-nitrobenzoate
methyl2-(4-methylpiperazino)-5-nitrobenzenecarboxylate
| 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) | 2.17 | 8.25 | -47.59 | 1 | 7 | 1 | 80 | 280.304 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 5.78 | -7.67 | 0 | 7 | 0 | 79 | 279.296 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.100000000000000e+002 - 1.120000000000000e+002 | KeyOrganics |
| melting_point | 110 - 112 | KeyOrganics |
| MP | 110-112° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
