3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride (CAS 1028339-37-8) is a chemical compound with molecular formula C10H14ClNO2 and molecular weight 215.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine;hydrochloride
Also Known As: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride, 3,4-Dihydro-2H-1,5-benzodioxepin-6-ylmethylamine hydrochloride, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine;hydrochloride, I14-60425, 2H,3H,4H-benzo[b]1,4-dioxepin-6-ylmethylamine, chloride
Technical Specifications
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.0713 g/mol |
| XLogP | 1.7284 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.0713 Da |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
| SMILES | C1COC2=CC=CC(=C2OC1)CN.Cl |
| InChIKey | YUPGBIWKJZMULF-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride
The XLogP value of 1.7284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride. With a topological polar surface area (TPSA) of 44.5 Ų, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride is 1028339-37-8.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride is C10H14ClNO2.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride is 215.0713 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.