TL;DR: Fluoren-9-amine, N-(2-bromoethyl)-N-ethyl-, hydrobromide (CAS 12774-27-5) is a chemical compound with molecular formula C17H19Br2N and molecular weight 394.98843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromoethyl-ethyl-(9H-fluoren-9-yl)azanium bromide
Also Known As: AT 2, AT 2 (plastic) (9CI), N-(2-Bromoethyl)-N-ethylfluoren-9-amine hydrobromide, 2-bromoethyl-ethyl-(9H-fluoren-9-yl)azanium, FLUOREN-9-AMINE, N-(2-BROMOETHYL)-N-ETHYL-, HYDROBROMIDE
| Molecular Formula | C17H19Br2N |
| Molecular Weight | 394.98843 g/mol |
| XLogP | 0.06 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.9864 Da |
| Heavy Atoms | 20 |
| Complexity | 271.0 |
| SMILES | CC[NH+](CCBr)C1C2=CC=CC=C2C3=CC=CC=C13.[Br-] |
| InChIKey | VOVVMWHLAYEJMS-UHFFFAOYSA-N |
The XLogP value of 0.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fluoren-9-amine, N-(2-bromoethyl)-N-ethyl-, hydrobromide. With a topological polar surface area (TPSA) of 4.4 Ų, Fluoren-9-amine, N-(2-bromoethyl)-N-ethyl-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fluoren-9-amine, N-(2-bromoethyl)-N-ethyl-, 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 Fluoren-9-amine, N-(2-bromoethyl)-N-ethyl-, hydrobromide is 12774-27-5.
The molecular formula of Fluoren-9-amine, N-(2-bromoethyl)-N-ethyl-, hydrobromide is C17H19Br2N.
The molecular weight of Fluoren-9-amine, N-(2-bromoethyl)-N-ethyl-, hydrobromide is 394.98843 g/mol.
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