In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2009 | 17 | Yes |
Popular Name: [2-azepan-1-yl-2-(4-methylphenyl)ethyl]amine [2-azepan-1-yl-2-(4-methylphenyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 889939-39-3 , N/A
1H-azepine-1-ethanamine, hexahydro-beta-(4-methylphenyl)-
2-azepan-1-yl-2-(4-methylphenyl)ethanamine
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) | 2.59 | 7.4 | -117.55 | 4 | 2 | 2 | 32 | 234.387 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 6.19 | -46.76 | 3 | 2 | 1 | 31 | 233.379 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 7.07 | -31.61 | 3 | 2 | 1 | 30 | 233.379 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |