| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | Yes |
Popular Name: butylbenzene butylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104-51-8 , 1678-93-9 , [104-51-8]
1-butylbenzene;1-phenylbutane;n-butylbenzene;N-BUTYLBENZENE;n-Butylbenzene
104-51-8; C18150; n-Butylbenzene
| 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) | 3.80 | 1.92 | -1.55 | 0 | 0 | 0 | 0 | 134.222 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 88 | Acros Organics |
| Melting_Point | 88? | Alfa-Aesar |
| Melting_Point | 88° | Alfa-Aesar |
| MP | 90 - -88 | Enamine Building Blocks |
| MP | 90...-88 | Enamine Building Blocks |
| Boiling_Point | 181-183? | Alfa-Aesar |
| Boiling_Point | 181-183° | Alfa-Aesar |
| BP [°C] | 183 | Acros Organics |
| ALOGPS_SOLUBILITY | 6.65e-03 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP1422213 | ChEBI |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.