| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 19 | No |
Popular Name: 3-(benzylamino)-4-nitrobenzenecarbonitrile 3-(benzylamino)-4-nitrobenzeneca…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1147979-42-7 , N/A
| 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) | 2.84 | 8.16 | -7.45 | 1 | 5 | 0 | 82 | 253.261 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 141 - 142 | KeyOrganics |
| MP | 141-142° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
