Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride
TL;DR: Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride (CAS 111438-62-1) is a chemical compound with molecular formula C22H34Cl2N2O2 and molecular weight 428.19974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-[4-[8-[4-(methylazaniumyl)phenoxy]octoxy]phenyl]azanium dichloride
Also Known As: M & B 2841, ANILINE, 4,4'-(OCTAMETHYLENEDIOXY)BIS(N-METHYL-, DIHYDROCHLORIDE, 4,4'-(Octamethylenedioxy)bis(N-methylaniline) dihydrochloride, methyl-[4-[8-[4-(methylazaniumyl)phenoxy]octoxy]phenyl]azanium;dichloride, 4,4'-[octane-1,8-diylbis(oxy)]bis(n-methylanilinium) dichloride
Technical Specifications
| Molecular Formula | C22H34Cl2N2O2 |
| Molecular Weight | 428.19974 g/mol |
| XLogP | -2.86 |
| Topological Polar Surface Area (TPSA) | 51.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 428.19974 Da |
| Heavy Atoms | 28 |
| Complexity | 292.0 |
| SMILES | C[NH2+]C1=CC=C(C=C1)OCCCCCCCCOC2=CC=C(C=C2)[NH2+]C.[Cl-].[Cl-] |
| InChIKey | JYKTXELQBPFWIA-UHFFFAOYSA-N |
Chemical Property Profile of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride
Property Insights of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride
The XLogP value of -2.86 indicates that Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.7 Ų, Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride?
The CAS number of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride is 111438-62-1.
What is the molecular formula of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride?
The molecular formula of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride is C22H34Cl2N2O2.
What is the molecular weight of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride?
The molecular weight of Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride is 428.19974 g/mol.
Where can I buy Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride?
You can request a quote for Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for Aniline, 4,4'-(octamethylenedioxy)bis(N-methyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.