In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 24 | Yes |
Popular Name: {4-[2-(4-benzylpiperazino)ethoxy]phenyl}methanol {4-[2-(4-benzylpiperazino)ethoxy…
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CAS Numbers: 937604-12-1 , [937604-12-1]
(4-(2-(4-Benzylpiperazin-1-yl)ethoxy)phenyl)methanol
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) | 2.65 | 6.34 | -40.69 | 2 | 4 | 1 | 37 | 327.448 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 6.33 | -39.69 | 2 | 4 | 1 | 37 | 327.448 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 3.95 | -8.02 | 1 | 4 | 0 | 36 | 326.44 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 5.800000000000000e+001 - 6.000000000000000e+001 | KeyOrganics |
melting_point | 58 - 60 | KeyOrganics |
MP | 58-60° | Matrix Scientific |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |