TL;DR: N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen chloride (1/1) (CAS 1149-41-3) is a chemical compound with molecular formula C16H19BrClN and molecular weight 339.03894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibenzyl(2-bromoethyl)azanium chloride
Also Known As: N-(2-Bromoethyl)dibenzylamine hydrochloride, dibenzyl(2-bromoethyl)azanium chloride, DIBENZYLAMINE, N-(2-BROMOETHYL)-, HYDROCHLORIDE, N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C16H19BrClN |
| Molecular Weight | 339.03894 g/mol |
| XLogP | -0.33 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.03894 Da |
| Heavy Atoms | 19 |
| Complexity | 187.0 |
| SMILES | C1=CC=C(C=C1)C[NH+](CCBr)CC2=CC=CC=C2.[Cl-] |
| InChIKey | QWYAVEUHHPLLIN-UHFFFAOYSA-N |
The XLogP value of -0.33 indicates that N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen 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 4.4 Ų, N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen chloride (1/1) has 1 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 N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen chloride (1/1) is 1149-41-3.
The molecular formula of N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen chloride (1/1) is C16H19BrClN.
The molecular weight of N,N-Dibenzyl-2-bromoethan-1-amine--hydrogen chloride (1/1) is 339.03894 g/mol.
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