| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | Yes |
Popular Name: N,N-diethyl-N'-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine N,N-diethyl-N'-[1-(7-methoxy-1-b…
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CAS Number: 1042600-01-0
DIETHYLMETHOXYBENZOFURANYLETHYLETHANEDIAMIN
N,N-Diethyl-N'-[1-(7-methoxy-1-benzofuran-2-yl)-ethyl]ethane-1,2-diamine
| 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) | 3.41 | 5.87 | -40.88 | 2 | 4 | 1 | 42 | 291.415 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 4.91 | -7.33 | 1 | 4 | 0 | 38 | 290.407 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 8.19 | -116.5 | 3 | 4 | 2 | 43 | 292.423 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 6.9 | -38.91 | 2 | 4 | 1 | 39 | 291.415 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
