TL;DR: 2-Bromo-N,N,N-triethylprop-2-en-1-aminium bromide (CAS 102571-43-7) is a chemical compound with molecular formula C9H19Br2N and molecular weight 298.98843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromoprop-2-enyl(triethyl)azanium bromide
Also Known As: AMMONIUM, (2-BROMOALLYL)TRIETHYL-, BROMIDE, N-(2-Bromoallyl)triethylammonium bromide, 2-bromo-n,n,n-triethylprop-2-en-1-aminium bromide, 2-bromoprop-2-enyl(triethyl)azanium;bromide, 2-bromoprop-2-enyl(triethyl)azanium bromide
| Molecular Formula | C9H19Br2N |
| Molecular Weight | 298.98843 g/mol |
| XLogP | -0.22 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.9864 Da |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
| SMILES | CC[N+](CC)(CC)CC(=C)Br.[Br-] |
| InChIKey | VATDSGNEAHVZGS-UHFFFAOYSA-M |
The XLogP value of -0.22 indicates that 2-Bromo-N,N,N-triethylprop-2-en-1-aminium bromide 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-Bromo-N,N,N-triethylprop-2-en-1-aminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-N,N,N-triethylprop-2-en-1-aminium bromide 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-Bromo-N,N,N-triethylprop-2-en-1-aminium bromide is 102571-43-7.
The molecular formula of 2-Bromo-N,N,N-triethylprop-2-en-1-aminium bromide is C9H19Br2N.
The molecular weight of 2-Bromo-N,N,N-triethylprop-2-en-1-aminium bromide is 298.98843 g/mol.
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