| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 12 | Yes |
Popular Name: 4-(1H-Imidazol-4-yl)aniline 4-(1H-Imidazol-4-yl)aniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1185096-50-7 , 29528-28-7
| 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) | 0.68 | 4.05 | -34.55 | 4 | 3 | 1 | 56 | 160.2 | 1 | ↓ |
| Ref Reference (pH 7) | 0.68 | 3.55 | -7.68 | 3 | 3 | 0 | 55 | 159.192 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 3.59 | -9.49 | 3 | 3 | 0 | 55 | 159.192 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 4.07 | -34.54 | 4 | 3 | 1 | 56 | 160.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 136 - 138 | Enamine Building Blocks |
| MP | 136...138 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 94 - 96 | Enamine Building Blocks |
| MP | 94...96 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| MP | 98° | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0538262A1; EP0841923A1; US6043254; US6072057; WO1992000966A1; WO1996040126A1; WO1999051590A1; WO2000029399A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
