In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 18th, 2008 | 25 | Yes |
Popular Name: N,N',N''-Trihexyldiethylenetriamine N,N',N''-Trihexyldiethylenetriamine
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CAS Number: 250787-15-6
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) | 6.56 | 12.17 | -100.36 | 4 | 3 | 2 | 36 | 357.671 | 21 | ↓ |
Hi High (pH 8-9.5) | 6.56 | 10.84 | -38.83 | 3 | 3 | 1 | 32 | 356.663 | 21 | ↓ |
Lo Low (pH 4.5-6) | 6.56 | 14.25 | -225.21 | 5 | 3 | 3 | 38 | 358.679 | 21 | ↓ |