TL;DR: 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide (CAS 102585-78-4) is a chemical compound with molecular formula C12H24BrN and molecular weight 261.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butyl-3-azoniabicyclo[3.3.1]nonane bromide
Also Known As: N-Butil-3-isogranatanina bromidrato, N-Butil-3-isogranatanina bromidrato [Italian], 3-Butyl-3-azabicyclo(3.3.1)nonane hydrobromide, 3-AZABICYCLO(3.3.1)NONANE, 3-BUTYL-, HYDROBROMIDE, 3-butyl-3-azoniabicyclo[3.3.1]nonane bromide
| Molecular Formula | C12H24BrN |
| Molecular Weight | 261.10922 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.10922 Da |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
| SMILES | CCCC[NH+]1CC2CCCC(C2)C1.[Br-] |
| InChIKey | NLWRRLVDRCHYAU-UHFFFAOYSA-N |
The XLogP value of -1.5 indicates that 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide 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, 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide 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 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide is 102585-78-4.
The molecular formula of 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide is C12H24BrN.
The molecular weight of 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide is 261.10922 g/mol.
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