| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 9 | Yes |
Popular Name: 1,2-Ethanediamine, N,N-diethyl-N-methyl- (9CI) 1,2-Ethanediamine, N,N-diethyl-N…
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CAS Number: 209803-38-3
| 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) | 0.53 | 1.88 | -34.52 | 2 | 2 | 1 | 20 | 131.243 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 2.84 | -30.77 | 2 | 2 | 1 | 16 | 131.243 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 4.21 | -103.52 | 3 | 2 | 2 | 21 | 132.251 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000050406A1 | IBM Patent Data |
