| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 12 | Yes |
Popular Name: [1-(3-Isobutyl-1,2,4-oxadiazol-5-yl)ethyl]amine hydrochloride [1-(3-Isobutyl-1,2,4-oxadiazol-5…
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CAS Numbers: , 1039994-46-1 , 1185294-95-4 , [1039994-46-1]
(1S)-1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethanamine
1,2,4-oxadiazole-5-methanamine, alpha-methyl-3-(2-methylpropyl)-, hydrochloride
1,2,4-oxadiazole-5-methanamine, alpha-methyl-3-(2-methylpropyl)-, monohydrochloride
1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethanamine
1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethanamine hydrochloride
ISOBUTYLOXADIAZOLYLETHYLAMINEHYDROCHLORID
[(1S)-1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethyl]amine hydrochloride
[1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethyl]aminehydrochloride
| 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) | -0.80 | 0.48 | -47.15 | 3 | 4 | 1 | 67 | 170.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.80 | 0.13 | -6.01 | 2 | 4 | 0 | 65 | 169.228 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
