RefChem:1089133
1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone;methanesulfonic acid
Also Known As: Piperazine, 4-piperonyl-1-piperonyloyl-, methanesulfonate|4-Piperonyl-1-piperonyloylpiperazine methanesulfonate|1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone; methanesulfonic acid|Methanesulfonic acid--(2H-1,3-benzodioxol-5-yl){4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methanone (1/1)|Methanone, 1,3-benzodioxol-5-yl(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-, methanesulfonate (1:1)|Piperazine, 1-(1,3-benzodioxol-5-ylcarbonyl)-4-(1,3-benzodioxol-5-ylmethyl)-, monomethanesulfonate
| Molecular Formula | C21H24N2O8S |
|---|---|
| Molecular Weight | 464.12534 g/mol |
| LogP | 1.606 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.12534 |
| Monoisotopic Mass | 464.12534 |
| Heavy Atoms | 32 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 3398-25-2 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5 |
| InChIKey | BOBAAQYCLOWDEZ-UHFFFAOYSA-N |
Product Overview
RefChem:1089133 (CAS 3398-25-2), with molecular formula C21H24N2O8S and molecular weight 464.12534 g/mol. IUPAC: 1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone;methanesulfonic acid.