Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride
TL;DR: Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride (CAS 114946-90-6) is a chemical compound with molecular formula C21H31ClN2O2 and molecular weight 378.2074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[5-[4-(dimethylamino)phenoxy]pentoxy]phenyl]-dimethylazanium chloride
Also Known As: 4,4'-(Pentamethylenedioxy)bis(N,N-dimethylaniline) hydrochloride, ANILINE, 4,4'-(PENTAMETHYLENEDIOXY)BIS(N,N-DIMETHYL-, HYDROCHLORIDE, [4-[5-[4-(dimethylamino)phenoxy]pentoxy]phenyl]-dimethylazanium chloride, 4-({5-[4-(dimethylamino)phenoxy]pentyl}oxy)-n,n-dimethylanilinium chloride
Technical Specifications
| Molecular Formula | C21H31ClN2O2 |
| Molecular Weight | 378.2074 g/mol |
| XLogP | 0.16 |
| Topological Polar Surface Area (TPSA) | 26.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 378.2074 Da |
| Heavy Atoms | 26 |
| Complexity | 333.0 |
| SMILES | C[NH+](C)C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)N(C)C.[Cl-] |
| InChIKey | RHPGSBSEXBKSAZ-UHFFFAOYSA-N |
Chemical Property Profile of Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride
Property Insights of Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride. With a topological polar surface area (TPSA) of 26.1 Ų, Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride has 1 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'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride?
The CAS number of Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride is 114946-90-6.
What is the molecular formula of Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride?
The molecular formula of Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride is C21H31ClN2O2.
What is the molecular weight of Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride?
The molecular weight of Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride is 378.2074 g/mol.
Where can I buy Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride?
You can request a quote for Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.