| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 18 | Yes |
Popular Name: MFCD18071375 MFCD18071375
Find On: PubMed — Wikipedia — Google
CAS Number: 1328641-59-3
DIMETHYLTRIFLUOROMETHOXYBENZYLETHANEDIAMINEDIHYDROCHLORID
N,N-Dimethyl-N'-[2-(trifluoromethoxy)benzyl]-ethane-1,2-diamine dihydrochloride
None
| 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) | 2.45 | 6.41 | -111.26 | 3 | 3 | 2 | 30 | 264.291 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 2.54 | -3.57 | 1 | 3 | 0 | 24 | 262.275 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 5.08 | -36.29 | 2 | 3 | 1 | 26 | 263.283 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 3.94 | -38.09 | 2 | 3 | 1 | 29 | 263.283 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
