TL;DR: 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)- (CAS 68123-11-5) is a chemical compound with molecular formula C21H46N2O and molecular weight 342.36102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(3-pentadecoxypropyl)propane-1,3-diamine
Also Known As: N-(3-Pentadecyloxypropyl)-1,3-propylenediamine, N-[3- propyl]propane-1,3-diamine, 1,3-Propanediamine, N-[3-(pentadecyloxy)propyl]-, 1,3-Propanediamine, N-(3-(pentadecyloxy)propyl)-, 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H46N2O |
| Molecular Weight | 342.36102 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 342.36102 Da |
| Heavy Atoms | 24 |
| Complexity | 212.0 |
| SMILES | CCCCCCCCCCCCCCCOCCCNCCCN |
| InChIKey | PUKQYCOBAZVBIG-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)- is 68123-11-5.
The molecular formula of 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)- is C21H46N2O.
The molecular weight of 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)- is 342.36102 g/mol.
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