N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]anilinetrihydrochloride
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline;trihydrochloride
| Molecular Formula | C29H38Cl3N3O4 |
|---|---|
| Molecular Weight | 599.0 g/mol |
| Topological Polar Surface Area | 55.4 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.1928 |
| Heavy Atoms | 39 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 104655-22-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NCC4COC5=CC=CC=C5O4.Cl.Cl.Cl |
| InChIKey | UBHVDPWKQVRLPX-UHFFFAOYSA-N |
📖 Product Overview
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]anilinetrihydrochloride (CAS: 104655-22-3) is a chemical compound with molecular formula C29H38Cl3N3O4 and molecular weight 599.0 g/mol. Its IUPAC systematic name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline;trihydrochloride.
UBHVDPWKQVRLPX-UHFFFAOYSA-N.
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NCC4COC5=CC=CC=C5O4.Cl.Cl.Cl.
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