| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 13 | Yes |
Popular Name: 2-(3-chlorophenyl)piperazine 2-(3-chlorophenyl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52385-79-2 , [52385-79-2]
| 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) | 1.63 | 4.33 | -123.89 | 4 | 2 | 2 | 33 | 198.697 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 1.68 | -2.57 | 2 | 2 | 0 | 24 | 196.681 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 3.04 | -41.57 | 3 | 2 | 1 | 29 | 197.689 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0107536A1; US4552878 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
