TL;DR: 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride (CAS 102612-80-6) is a chemical compound with molecular formula C7H16Br2ClN and molecular weight 306.9338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dibromo-N,N-diethylpropan-1-amine;hydrochloride
Also Known As: 1-Diethylamino-2,3-dibromopropane hydrochloride, 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride, 2,3-Dibromo-N,N-diethyl-1-propylamine hydrochloride, 2,3-dibromo-N,N-diethylpropan-1-amine hydrochloride, 2,3-dibromo-N,N-diethylpropan-1-amine;hydrochloride
| Molecular Formula | C7H16Br2ClN |
| Molecular Weight | 306.9338 g/mol |
| XLogP | 2.9084 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.9338 Da |
| Heavy Atoms | 11 |
| Complexity | 74.0 |
| SMILES | CCN(CC)CC(CBr)Br.Cl |
| InChIKey | QCAKBXASEJINHB-UHFFFAOYSA-N |
The XLogP value of 2.9084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride 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 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride is 102612-80-6.
The molecular formula of 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride is C7H16Br2ClN.
The molecular weight of 1-Propylamine, 2,3-dibromo-N,N-diethyl-, hydrochloride is 306.9338 g/mol.
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