| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | No |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-nitroaniline N-(1,3-benzodioxol-5-ylmethyl)-3…
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CAS Numbers: 191595-08-1 , [191595-08-1]
| 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) | 3.02 | -0.56 | -11.79 | 1 | 6 | 0 | 76 | 272.26 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 99 - 100 | KeyOrganics |
| MP | 99-100° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
