TL;DR: 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2) (CAS 17701-04-1) is a chemical compound with molecular formula C29H67N2O4P and molecular weight 538.4838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-ethylhexan-1-amine);tridecyl dihydrogen phosphate
Also Known As: 2-ethylhexan-1-amine; tridecyl dihydrogen phosphate, Tridecyl phosphate (1:1), 2-ethylhexylamine salt (1:2), tridecyl dihydrogen phosphate- 2-ethylhexan-1-amine(1:2), Tridecyl phosphate, 2-ethylhexylamine salt (1:2), 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2)
| Molecular Formula | C29H67N2O4P |
| Molecular Weight | 538.4838 g/mol |
| XLogP | 8.73 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Exact Mass | 538.4838 Da |
| Heavy Atoms | 36 |
| Complexity | 268.0 |
| SMILES | CCCCCCCCCCCCCOP(=O)(O)O.CCCCC(CC)CN.CCCCC(CC)CN |
| InChIKey | JZWAGECTJHZDAN-UHFFFAOYSA-N |
The XLogP value of 8.73 indicates that 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2). Following Lipinski's Rule of Five, 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2) is 17701-04-1.
The molecular formula of 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2) is C29H67N2O4P.
The molecular weight of 1-Tridecanol, 1-(dihydrogen phosphate), compd. with 2-ethyl-1-hexanamine (1:2) is 538.4838 g/mol.
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