| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 14 | Yes |
Popular Name: 2-Amino-3-methyl-1-(4-methyl-1-piperazinyl)-1-butanone hydrochloride 2-Amino-3-methyl-1-(4-methyl-1-p…
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CAS Numbers: 1236266-34-4 , N/A , [1236266-34-4]
2-amino-3-methyl-1-(4-methyl-1-piperazinyl)-1-butanonehydrochloride
2-Amino-3-methyl-1-(4-methylpiperazin-1-yl)butan-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) | -0.46 | 0.5 | -43.23 | 3 | 4 | 1 | 51 | 200.306 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.46 | 0.22 | -8.2 | 2 | 4 | 0 | 50 | 199.298 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.46 | 2.9 | -97.11 | 4 | 4 | 2 | 52 | 201.314 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
