| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 18 | Yes |
Popular Name: 2-Amino-1-(1-azepanyl)-3-phenyl-1-propanone hydrochloride 2-Amino-1-(1-azepanyl)-3-phenyl-…
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CAS Numbers: 1236262-13-7 , N/A , [1236262-13-7]
2-Amino-1-(1-azepanyl)-3-phenyl-1-propanonehydrochloride
2-Amino-1-(azepan-1-yl)-3-phenylpropan-1-one hydrochloride
| 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) | 1.74 | 6.41 | -42.52 | 3 | 3 | 1 | 48 | 247.362 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 6.09 | -8.28 | 2 | 3 | 0 | 46 | 246.354 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
