| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 19 | No |
Popular Name: 3-Nitro-4-(hexamethyleneimin-1-yl)benzoic acid 3-Nitro-4-(hexamethyleneimin-1-y…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 92109-03-0 , [92109-03-0]
3-nitro-4-(hexamethyleneimin-1-yl)benzoicacid
4-(azepan-1-yl)-3-nitrobenzoic acid
| 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) | 3.25 | 0.73 | -45.74 | 0 | 6 | -1 | 89 | 263.273 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 177 - 180 | Enamine Building Blocks |
| MP | 177...180 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
