In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 16 | Yes |
Popular Name: N-[2-amino-1-(3-methoxyphenyl)ethyl]-N,N-diethylamine N-[2-amino-1-(3-methoxyphenyl)et…
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CAS Number: 885530-72-3
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) | 1.51 | 4.54 | -122.16 | 4 | 3 | 2 | 41 | 224.348 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 4.17 | -30.12 | 3 | 3 | 1 | 40 | 223.34 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 2.21 | -43.96 | 3 | 3 | 1 | 40 | 223.34 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |