己内酰胺
TL;DR: 己内酰胺 (CAS 105-60-2) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己内酰胺
azepan-2-one
Also Known As: azepan-2-one, CAPROLACTAM, epsilon-Caprolactam, 6-Caprolactam, Aminocaproic lactam
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
| Melting Point | 68.9 °C |
| Boiling Point | 266.9 °C at 760 mmHg |
| Density | 1.02 at 77.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992) |
| Flash Point | 125.0 °C |
| Vapor Pressure | 0.001 mmHg at 20.0 °C ; 3 mmHg at 100.0 °C |
| Refractive Index | 1.4965 @ 31 °C; 1.4935 @ 40 °C /70% aq soln/ |
Chemical Identifiers
| CAS Number | 105-60-2 |
|---|---|
| SMILES | C1CCC(=O)NCC1 |
| InChIKey | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己内酰胺 (CAS 105-60-2), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: azepan-2-one.
Chemical Property Profile of 己内酰胺
Property Insights of 己内酰胺
The XLogP value of -0.1 indicates that 己内酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.1 Ų, 己内酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己内酰胺 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 己内酰胺?
The CAS number of 己内酰胺 is 105-60-2.
What is the molecular formula of 己内酰胺?
The molecular formula of 己内酰胺 is C6H11NO.
What is the molecular weight of 己内酰胺?
The molecular weight of 己内酰胺 is 113.08 g/mol.
Where can I buy 己内酰胺?
You can request a quote for 己内酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己内酰胺?
Yes, KEHONG BIO provides custom synthesis services for 己内酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.