| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 15 | Yes |
Popular Name: 2-Phenylindole 2-Phenylindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13141-48-5 , 948-65-2 , [948-65-2]
N-[2-(2,6-dicyano-4-methyl-phenyl)azo-5-(dipropylamino)phenyl]methanesulfonamide
N-[2-(2,6-dicyano-4-methylphenyl)azo-5-(dipropylamino)phenyl]methanesulfonamide
Stabilizer I; 2-Phenylindole; 2-Phenyl-1H-indole; .alpha.-Phenylindole
| 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) | 3.83 | 8.08 | -5.3 | 1 | 1 | 0 | 16 | 193.249 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 8.4 | -26.59 | 1 | 1 | 1 | 14 | 194.257 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | CNS stimulant | ZereneX Building Blocks |
| mechanism | MAO inhibitor | ZereneX Building Blocks |
| MP | 188 - 190 | Enamine Building Blocks |
| Mp [°C] | 188 - 191 | Acros Organics |
| MP | 188...190 | Enamine Building Blocks |
| Melting_Point | 189-190? | Alfa-Aesar |
| Melting_Point | 189-190° | Alfa-Aesar |
| MP | 192 | TCI |
| BP [°C] | 250 (p=10 torr) | Acros Organics |
| Boiling_Point | 250?/10mm | Alfa-Aesar |
| Boiling_Point | 250°/10mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0770079A1; EP0920867A1 | IBM Patent Data |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | US4537902 | IBM Patent Data |
