| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 20 | Yes |
Popular Name: N1-[2-(2,5-dimethylphenoxy)propyl]-N2,N2-diethyl-1,2-ethanediamine N1-[2-(2,5-dimethylphenoxy)propy…
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CAS Number: 1040686-11-0
1,2-ethanediamine, N'-[2-(2,5-dimethylphenoxy)propyl]-N,N-diethyl-
| 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) | 3.40 | 8.34 | -32.64 | 2 | 3 | 1 | 26 | 279.448 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 6.15 | -2.86 | 1 | 3 | 0 | 24 | 278.44 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 7.54 | -40.31 | 2 | 3 | 1 | 29 | 279.448 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 9.75 | -114.13 | 3 | 3 | 2 | 30 | 280.456 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
