In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 16 | Yes |
Popular Name: 2-(3-Methoxy-phenyl)-2-pyrrolidin-1-yl-ethylamine 2-(3-Methoxy-phenyl)-2-pyrrolidi…
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CAS Numbers: 791600-98-1 , [791600-98-1]
2-(3-methoxyphenyl)-2-(pyrrolidin-1-yl)ethanamine
2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
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) | 1.16 | 4.85 | -114.97 | 4 | 3 | 2 | 41 | 222.332 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 5.17 | -29.62 | 3 | 3 | 1 | 40 | 221.324 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 2.75 | -41.82 | 3 | 3 | 1 | 40 | 221.324 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 178 - 180 | Enamine Building Blocks |
MP | 178...180 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Warnings | IRRITANT | Matrix Scientific |