| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 1-phenylurea 1-phenylurea
| 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) | 1.07 | 0.56 | -9.42 | 3 | 3 | 0 | 55 | 136.154 | 1 | ↓ |
| Ref Reference (pH 7) | 0.70 | -1.95 | -9.35 | 3 | 3 | 0 | 59 | 136.154 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | -0.92 | -35.59 | 4 | 3 | 1 | 58 | 137.162 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | -1.49 | -4.47 | 3 | 3 | 0 | 56 | 136.154 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | -1.05 | -5.37 | 3 | 3 | 0 | 56 | 136.154 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 143 - 149 | Acros Organics |
| MP | 144 - 146 | Enamine Building Blocks |
| Melting_Point | 144-148? | Alfa-Aesar |
| Melting_Point | 144-148° | Alfa-Aesar |
| MP | 144...146 | Enamine Building Blocks |
| MP | 147 | TCI |
| BP [°C] | 238 | Acros Organics |
| Boiling_Point | 238? | Alfa-Aesar |
| Boiling_Point | 238° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0008154A1; US4155930; US4155931; US4180587; US4185032; US4185033; US4229370; US4229372; US4231958; US5562904 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.