| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2005 | 16 | Yes |
Popular Name: methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate hydrochloride methyl 3-amino-3-(1,3-benzodioxo…
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CAS Numbers: 1177093-05-8 , 198959-45-4 , [1177093-05-8]
methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate
Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoatehydrochloride
Methyl 3-amino-3-(benzo[d][1,3]dioxol-5-yl)propanoate hydrochloride
methyl3-amino-3-(1,3-benzodioxol-5-yl)propanoatehydrochloride
| 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) | -0.86 | 2.78 | -48.06 | 3 | 5 | 1 | 72 | 224.236 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.750000000000000e+002 - 1.770000000000000e+002 | KeyOrganics |
| melting_point | 175 - 177 | KeyOrganics |
| MP | 175-177° | Matrix Scientific |
| melting_point | 36 - 39 | KeyOrganics |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
