In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 20 | Yes |
Popular Name: Methyl 4-[(piperazin-1-ylacetyl)amino]benzoate dihydrochloride Methyl 4-[(piperazin-1-ylacetyl)…
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CAS Numbers: , 1216473-32-3 , 85126-73-4
benzoic acid, 4-[(1-piperazinylacetyl)amino]-, methyl ester, dihydrochloride
methyl 4-[(piperazin-1-ylacetyl)amino]benzoate
Methyl 4-[(piperazin-1-ylacetyl)amino]benzoatedihydrochloride
None
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) | 0.98 | 3.65 | -46.97 | 3 | 6 | 1 | 72 | 278.332 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 2.83 | -50.9 | 3 | 6 | 1 | 75 | 278.332 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 1.41 | -13.39 | 2 | 6 | 0 | 71 | 277.324 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |