TL;DR: Ethanol, 2-(dibutylamino)-, compd. with dodecyl hydrogen sulfate (1:1) (CAS 67953-21-3) is a chemical compound with molecular formula C22H49NO5S and molecular weight 439.33313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dibutylamino)ethanol;dodecyl hydrogen sulfate
Also Known As: Lauryl alcohol, sulfate, dibutylaminoethanol salt, dodecyl hydrogen sulfate- 2-(dibutylamino)ethanol(1:1), 2-(dibutylamino)ethanol; dodecyl hydrogen sulfate, Sulfuric acid, monododecyl ester, compd. with 2-(dibutylamino)ethanol (1:1), Dodecyl hydrogen sulfate--2-(dibutylamino)ethan-1-ol (1/1)
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H49NO5S |
| Molecular Weight | 439.33313 g/mol |
| XLogP | 5.61 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 439.33313 Da |
| Heavy Atoms | 29 |
| Complexity | 322.0 |
| SMILES | CCCCCCCCCCCCOS(=O)(=O)O.CCCCN(CCCC)CCO |
| InChIKey | CKNFGYJYLBGXSD-UHFFFAOYSA-N |
The XLogP value of 5.61 indicates that Ethanol, 2-(dibutylamino)-, compd. with dodecyl hydrogen sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-(dibutylamino)-, compd. with dodecyl hydrogen sulfate (1:1). Following Lipinski's Rule of Five, Ethanol, 2-(dibutylamino)-, compd. with dodecyl hydrogen sulfate (1:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanol, 2-(dibutylamino)-, compd. with dodecyl hydrogen sulfate (1:1) is 67953-21-3.
The molecular formula of Ethanol, 2-(dibutylamino)-, compd. with dodecyl hydrogen sulfate (1:1) is C22H49NO5S.
The molecular weight of Ethanol, 2-(dibutylamino)-, compd. with dodecyl hydrogen sulfate (1:1) is 439.33313 g/mol.
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