TL;DR: 2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1) (CAS 13107-00-1) is a chemical compound with molecular formula C10H20ClN and molecular weight 189.12843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-bis(prop-2-enyl)azanium chloride
Also Known As: Diallyldiethylammonium chloride, Diethyldiallylammonium chloride, diallyl diethyl ammonium chloride, diallyldiethyl ammonium chloride, diethyl-bis(prop-2-enyl)azanium;chloride
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H20ClN |
| Molecular Weight | 189.12843 g/mol |
| XLogP | -0.78 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 189.12843 Da |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
| SMILES | CC[N+](CC)(CC=C)CC=C.[Cl-] |
| InChIKey | IOMDIVZAGXCCAC-UHFFFAOYSA-M |
The XLogP value of -0.78 indicates that 2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1) has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1) is 13107-00-1.
The molecular formula of 2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1) is C10H20ClN.
The molecular weight of 2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1) is 189.12843 g/mol.
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