Azepan-2-one oxime
TL;DR: Azepan-2-one oxime (CAS 1217429-92-9) is a chemical compound with molecular formula C6H12N2O and molecular weight 128.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
Also Known As: Azepan-2-one oxime, caprolactam-oxime, (E)-Azepan-2-one oxime, N-(azepan-2-ylidene)hydroxylamine, HieH@HpDeeWafjjADP
Technical Specifications
| Molecular Formula | C6H12N2O |
| Molecular Weight | 128.09496 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 44.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.09496 Da |
| Heavy Atoms | 9 |
| Complexity | 112.0 |
| SMILES | C1CCC(=NCC1)NO |
| InChIKey | PPOHPUOKXMNCCI-UHFFFAOYSA-N |
Chemical Property Profile of Azepan-2-one oxime
Property Insights of Azepan-2-one oxime
The XLogP value of -0.3 indicates that Azepan-2-one oxime is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.6 Ų, Azepan-2-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-2-one oxime has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Azepan-2-one oxime?
The CAS number of Azepan-2-one oxime is 1217429-92-9.
What is the molecular formula of Azepan-2-one oxime?
The molecular formula of Azepan-2-one oxime is C6H12N2O.
What is the molecular weight of Azepan-2-one oxime?
The molecular weight of Azepan-2-one oxime is 128.09496 g/mol.
Where can I buy Azepan-2-one oxime?
You can request a quote for Azepan-2-one oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Azepan-2-one oxime?
Yes, CoreyChem provides custom synthesis services for Azepan-2-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.