TL;DR: N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium (CAS 191980-81-1) is a chemical compound with molecular formula C35H74NO3+ and molecular weight 556.5669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-di(tetradecoxy)propyl-(2-hydroxyethyl)-dimethylazanium
Also Known As: Dmrie cation, N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium, N-(2-hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)propan-1-aminium, (+/-)-N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium, 1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C35H74NO3+ |
| Molecular Weight | 556.5669 g/mol |
| XLogP | 12.7 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 33 |
| Exact Mass | 556.5669 Da |
| Heavy Atoms | 39 |
| Complexity | 457.0 |
| SMILES | CCCCCCCCCCCCCCOCC(C[N+](C)(C)CCO)OCCCCCCCCCCCCCC |
| InChIKey | UZLHBUQJHDTDRD-UHFFFAOYSA-N |
The XLogP value of 12.7 indicates that N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium is 191980-81-1.
The molecular formula of N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium is C35H74NO3+.
The molecular weight of N-(2-Hydroxyethyl)-N,N-dimethyl-2,3-bis(tetradecyloxy)-1-propaniminium is 556.5669 g/mol.
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