1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride
TL;DR: 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride (CAS 26487-67-2) is a chemical compound with molecular formula C8H17Cl2N and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)azepan-1-ium chloride
Also Known As: 1-(2-chloroethyl)azepan-1-ium chloride, 1-(2-chloroethyl)azepan-1-ium;chloride, (2-chloroethyl)azaperhydroepine, chloride, 2-(Hexamethyleneimino)ethyl chloride hydrochloride, N-(2-Chloroethyl)perhydroazepine hydrochloride
| Molecular Formula | C8H17Cl2N |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | -2.31 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.0738 |
| Heavy Atoms | 11 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 26487-67-2 |
|---|---|
| SMILES | C1CCC[NH+](CC1)CCCl.[Cl-] |
| InChIKey | ZQDSOUPBYJIPNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride (CAS 26487-67-2), with molecular formula C8H17Cl2N and molecular weight 197.07 g/mol. IUPAC: 1-(2-chloroethyl)azepan-1-ium chloride.
Chemical Property Profile of 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride
Property Insights of 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride
The XLogP value of -2.31 indicates that 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride 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 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride?
The CAS number of 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride is 26487-67-2.
What is the molecular formula of 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride?
The molecular formula of 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride is C8H17Cl2N.
What is the molecular weight of 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride?
The molecular weight of 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride is 197.07 g/mol.
Where can I buy 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride?
You can request a quote for 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.