| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 22 | Yes |
Popular Name: MFCD10687442 MFCD10687442
Find On: PubMed — Wikipedia — Google
CAS Number: 1040684-61-4
3-Isopropoxy-N-(4-isopropoxybenzyl)aniline
benzenemethanamine, 4-(1-methylethoxy)-N-[3-(1-methylethoxy)phenyl]-
| 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) | 4.76 | 8.79 | -5.56 | 1 | 3 | 0 | 30 | 299.414 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
