TL;DR: 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride (CAS 132186-00-6) is a chemical compound with molecular formula C12H27Cl2NO and molecular weight 271.14697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-2-hydroxypropyl)-tripropylazanium chloride
Also Known As: NIOSH/BP5276000, 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride, 3-chloro-2-hydroxypropyltripropylammonium chloride, (3-chloro-2-hydroxypropyl)-tripropylazanium chloride, (3-chloro-2-hydroxypropyl)-tripropylazanium,chloride
| Molecular Formula | C12H27Cl2NO |
| Molecular Weight | 271.14697 g/mol |
| XLogP | -0.3631 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 271.14697 Da |
| Heavy Atoms | 16 |
| Complexity | 136.0 |
| SMILES | CCC[N+](CCC)(CCC)CC(CCl)O.[Cl-] |
| InChIKey | UJGASLPMQXIPEY-UHFFFAOYSA-M |
The XLogP value of -0.3631 indicates that 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride 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 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride is 132186-00-6.
The molecular formula of 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride is C12H27Cl2NO.
The molecular weight of 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-tripropyl-, chloride is 271.14697 g/mol.
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