| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 12 | No |
Popular Name: 1-Allyl-4-(2-chloro-ethyl)-piperazinedihydrochloride 1-Allyl-4-(2-chloro-ethyl)-piper…
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CAS Number: 112952-20-2
1-Allyl-4-(2-chloro ethyl)piperazine dihydrochloride
1-Allyl-4-(2-chloro-ethyl)-piperazine
1-Allyl-4-(2-chloro-ethyl)-piperazine 2 hcl
| 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) | 1.48 | 4.6 | -34.35 | 1 | 2 | 1 | 8 | 189.71 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 4.59 | -36.99 | 1 | 2 | 1 | 8 | 189.71 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 2.21 | -1.94 | 0 | 2 | 0 | 6 | 188.702 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.