| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 29 | No |
Popular Name: methyl 2-[4-benzyl-2-(propan-2-yl)piperazin-1-yl]-5-nitrobenzoate methyl 2-[4-benzyl-2-(propan-2-y…
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CAS Number: 1242268-07-0
methyl2-[4-benzyl-2-(propan-2-yl)piperazin-1-yl]-5-nitrobenzoate
None
| 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) | 4.68 | 13.23 | -40.97 | 1 | 7 | 1 | 80 | 398.483 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.68 | 10.99 | -6.13 | 0 | 7 | 0 | 79 | 397.475 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 9.600000000000000e+001 - 9.800000000000000e+001 | KeyOrganics |
| melting_point | 96 - 98 | KeyOrganics |
| MP | 96-98° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
