In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 15th, 2010 | 16 | Yes |
Popular Name: 2-(2-Methoxy-phenyl)-2-pyrrolidin-1-yl-ethylamine 2-(2-Methoxy-phenyl)-2-pyrrolidi…
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CAS Number: 791079-95-3
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) | 1.14 | 5.2 | -113.46 | 4 | 3 | 2 | 41 | 222.332 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.14 | 2.91 | -40.99 | 3 | 3 | 1 | 40 | 221.324 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.14 | 4.72 | -26.53 | 3 | 3 | 1 | 40 | 221.324 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Warnings | IRRITANT | Matrix Scientific |