1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)
TL;DR: 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) (CAS 56955-78-3) is a chemical compound with molecular formula C29H53NO3 and molecular weight 463.40256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dodecyl-ethyl-dimethylazanium;4-hexoxybenzoate
Also Known As: ethyldimethylammoniump- benzoate, (Dodecyl)ethyldimethylammonium p-(hexyloxy)benzoate, Dodecyldimethylethylammonium 4-n-hexoxybenzoate, dodecyl-ethyl-dimethylazanium; 4-hexoxybenzoate, 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, salt with 4-(hexyloxy)benzoic acid (1:1)
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H53NO3 |
| Molecular Weight | 463.40256 g/mol |
| XLogP | 7.01 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 463.40256 Da |
| Heavy Atoms | 33 |
| Complexity | 341.0 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOC1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | RBBNOVKRLWDEGC-UHFFFAOYSA-M |
Chemical Property Profile of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)
Property Insights of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)
The XLogP value of 7.01 indicates that 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)?
The CAS number of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) is 56955-78-3.
What is the molecular formula of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)?
The molecular formula of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) is C29H53NO3.
What is the molecular weight of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)?
The molecular weight of 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) is 463.40256 g/mol.
Where can I buy 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)?
You can request a quote for 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1-Dodecanaminium, N-ethyl-N,N-dimethyl-, 4-(hexyloxy)benzoate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.