| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 12 | Yes |
Popular Name: 3-(1H-imidazol-5-yl)aniline 3-(1H-imidazol-5-yl)aniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 51746-93-1 , 83184-01-4
| 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) | 0.65 | 3.6 | -9.68 | 3 | 3 | 0 | 55 | 159.192 | 1 | ↓ |
| Ref Reference (pH 7) | 0.65 | 3.55 | -7.52 | 3 | 3 | 0 | 55 | 159.192 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 4.05 | -35.49 | 4 | 3 | 1 | 56 | 160.2 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 4.06 | -35.57 | 4 | 3 | 1 | 56 | 160.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0770079A1; EP0937065A1; US6020349; US6043254; US6083960; WO1994029277A1; WO1996001825A1; WO1998018786A1; WO1998024785A1; WO1999051590A1 | IBM Patent Data |
