RefChem:237374
TL;DR: RefChem:237374 (CAS 104317-89-7) is a chemical compound with molecular formula C12H28Cl2N2O and molecular weight 286.15787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-propan-2-ylazanium dichloride
Also Known As: 1H-Azepine-1-ethanol, hexahydro-alpha-(((1-methylethyl)amino)methyl)-, dihydrochloride, [3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-propan-2-ylazanium dichloride, Hexahydro-alpha-(((1-methylethyl)amino)methyl)-1H-azepine-1-ethanol dihydrochloride, [3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-propan-2-ylazanium, 1-[2-hydroxy-3-(propan-2-ylammonio)propyl]azepanium dichloride
Technical Specifications
| Molecular Formula | C12H28Cl2N2O |
| Molecular Weight | 286.15787 g/mol |
| XLogP | -7.21 |
| Topological Polar Surface Area (TPSA) | 41.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.15787 Da |
| Heavy Atoms | 17 |
| Complexity | 154.0 |
| SMILES | CC(C)[NH2+]CC(C[NH+]1CCCCCC1)O.[Cl-].[Cl-] |
| InChIKey | CGLBQDDNZLHDSV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:237374
Property Insights of RefChem:237374
The XLogP value of -7.21 indicates that RefChem:237374 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.3 Ų, RefChem:237374 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237374 has 3 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 RefChem:237374?
The CAS number of RefChem:237374 is 104317-89-7.
What is the molecular formula of RefChem:237374?
The molecular formula of RefChem:237374 is C12H28Cl2N2O.
What is the molecular weight of RefChem:237374?
The molecular weight of RefChem:237374 is 286.15787 g/mol.
Where can I buy RefChem:237374?
You can request a quote for RefChem:237374 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:237374?
Yes, CoreyChem provides custom synthesis services for RefChem:237374 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.