TL;DR: N-(2-phenylpropylidene)hydroxylamine (CAS 59647-78-8) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-phenylpropylidene)hydroxylamine
Also Known As: phenylpropionaldoxime, 2-Phenylpropionaldehyde oxime, 1-phenylethyl nitrone, N-(2-phenylpropylidene)hydroxylamine, Benzeneacetaldehyde, a-methyl-, oxime
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.08406 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.08406 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| SMILES | CC(C=NO)C1=CC=CC=C1 |
| InChIKey | SETWHVMVMWYJQA-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-phenylpropylidene)hydroxylamine. With a topological polar surface area (TPSA) of 32.6 Ų, N-(2-phenylpropylidene)hydroxylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-phenylpropylidene)hydroxylamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-phenylpropylidene)hydroxylamine is 59647-78-8.
The molecular formula of N-(2-phenylpropylidene)hydroxylamine is C9H11NO.
The molecular weight of N-(2-phenylpropylidene)hydroxylamine is 149.08406 g/mol.
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