| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 17 | No |
Popular Name: 2-(4-Amino-3-oxobutyl)-1H-isoindole-1,3(2H)-dione 2-(4-Amino-3-oxobutyl)-1H-isoind…
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CAS Number: 3330-06-1
2-(4-Amino-3-oxobutyl)-1H-isoindole-1,3(2H)-dione 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) | -0.23 | 2.89 | -50.64 | 3 | 5 | 1 | 84 | 233.247 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 2.5 | -12.39 | 2 | 5 | 0 | 82 | 232.239 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 246° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
