TL;DR: 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro- (CAS 139642-81-2) is a chemical compound with molecular formula C19H19N and molecular weight 261.15176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-butyl-10H-anthracene-9-carbonitrile
Also Known As: 9-butyl-10H-anthracene-9-carbonitrile, 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro-, 9-Butyl-9-cyano-9,10-dihydroanthracene, 9-Butyl-9,10-dihydro-9-anthracenecarbonitrile, 9-Butyl-9,10-dihydro-9-anthracenecarbonitrile #
| Molecular Formula | C19H19N |
| Molecular Weight | 261.15176 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.15176 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | CCCCC1(C2=CC=CC=C2CC3=CC=CC=C31)C#N |
| InChIKey | RPRPSBDZMSPXTD-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro- is 139642-81-2.
The molecular formula of 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro- is C19H19N.
The molecular weight of 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro- is 261.15176 g/mol.
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