| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 13 | Yes |
Popular Name: 4-(2-Methyl-2H-pyrazol-3-yl)aniline 4-(2-Methyl-2H-pyrazol-3-yl)aniline
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CAS Number: 1208081-73-5
| 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) | 1.14 | 3.33 | -7.18 | 2 | 3 | 0 | 44 | 173.219 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 3.49 | -29.31 | 3 | 3 | 1 | 45 | 174.227 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 115-116° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.