TL;DR: Dodecylamine, chloroacetate (CAS 78961-20-3) is a chemical compound with molecular formula C14H30ClNO2 and molecular weight 279.1965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroacetate;dodecylazanium
Also Known As: Dodecylamine, chloroacetate, Dodecylammonium chloracetate, 2-chloroacetate; dodecylazanium, ACETIC ACID, CHLORO-, compd. with 1-DODECANAMINE (1:1)
| Molecular Formula | C14H30ClNO2 |
| Molecular Weight | 279.1965 g/mol |
| XLogP | 2.12 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 279.1965 Da |
| Heavy Atoms | 18 |
| Complexity | 119.0 |
| SMILES | CCCCCCCCCCCC[NH3+].C(C(=O)[O-])Cl |
| InChIKey | LCZIQCSYIXULBD-UHFFFAOYSA-N |
The XLogP value of 2.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dodecylamine, chloroacetate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecylamine, chloroacetate. Following Lipinski's Rule of Five, Dodecylamine, chloroacetate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dodecylamine, chloroacetate is 78961-20-3.
The molecular formula of Dodecylamine, chloroacetate is C14H30ClNO2.
The molecular weight of Dodecylamine, chloroacetate is 279.1965 g/mol.
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