| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 14 | Yes |
Popular Name: N1-Cyclohexyl-N3-ethyl-N1-methyl-1,3-propanediamine N1-Cyclohexyl-N3-ethyl-N1-methyl…
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CAS Number: 1040691-47-1
| 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) | 2.33 | 7.42 | -101.19 | 3 | 2 | 2 | 21 | 200.37 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.08 | -36.51 | 2 | 2 | 1 | 20 | 199.362 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 6.01 | -33 | 2 | 2 | 1 | 16 | 199.362 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
