| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 14 | Yes |
Popular Name: 2-Amino-1-(1-azepanyl)-3-methyl-1-butanone hydrochloride 2-Amino-1-(1-azepanyl)-3-methyl-…
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CAS Numbers: 1236254-87-7 , N/A , [1236254-87-7]
2-Amino-1-(1-azepanyl)-3-methyl-1-butanonehydrochloride
2-Amino-1-(azepan-1-yl)-3-methylbutan-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) | 1.06 | 4.04 | -42.15 | 3 | 3 | 1 | 48 | 199.318 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 3.76 | -8.05 | 2 | 3 | 0 | 46 | 198.31 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
