N-butyl-N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]butan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-butyl-N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]butan-1-amine--hydrogen chloride (1/1)
N-butyl-N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]butan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8010-2840 |
| Compound Name: | N-butyl-N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]butan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 327.89 |
| Molecular Formula: | C18 H29 N O2 |
| Salt: | HCl |
| Smiles: | CCCCN(CCCC)CC1OCc2ccccc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 4.2337 |
| logD: | 3.4187 |
| logSw: | -3.8981 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.4064 |
| InChI Key: | CSKUMZNKDOLGDT-UHFFFAOYSA-N |