N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]prop-2-en-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]prop-2-en-1-amine--hydrogen chloride (1/1)
N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]prop-2-en-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D163-0558 |
| Compound Name: | N-[(1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]prop-2-en-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 255.74 |
| Molecular Formula: | C13 H17 N O2 |
| Salt: | HCl |
| Smiles: | C=CCNCC1OCc2ccccc2CO1 |
| Stereo: | ACHIRAL |
| logP: | 1.8554 |
| logD: | 0.9779 |
| logSw: | -1.7001 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3452 |
| InChI Key: | SRSHGYVZTQTQMV-UHFFFAOYSA-N |