2-氯-N,N-二乙基乙胺硫酸盐(1:1)
TL;DR: 2-氯-N,N-二乙基乙胺硫酸盐(1:1) (CAS 67845-39-0) is a chemical compound with molecular formula C6H16ClNO4S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-N,N-二乙基乙胺硫酸盐(1:1)
2-chloro-N,N-diethylethanamine;sulfuric acid
Also Known As: Cid 105760, Ethanamine, 2-chloro-N,N-diethyl-, sulfate (1:1), beta-(N,N-Diethylamino)ethyl chloride bisulfate, 2-chloro-N,N-diethylethanamine; sulfuric acid, ethanamine, 2-chloro-n,n-diethyl-, sulfate(2:1)
| Molecular Formula | C6H16ClNO4S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.91 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.04886 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 67845-39-0 |
|---|---|
| SMILES | CCN(CC)CCCl.OS(=O)(=O)O |
| InChIKey | RKXSEZIWXKMPGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-N,N-二乙基乙胺硫酸盐(1:1) (CAS 67845-39-0), with molecular formula C6H16ClNO4S and molecular weight 233.05 g/mol. IUPAC: 2-chloro-N,N-diethylethanamine;sulfuric acid.
Chemical Property Profile of 2-氯-N,N-二乙基乙胺硫酸盐(1:1)
Property Insights of 2-氯-N,N-二乙基乙胺硫酸盐(1:1)
The XLogP value of 0.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-N,N-二乙基乙胺硫酸盐(1:1). The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-N,N-二乙基乙胺硫酸盐(1:1). Following Lipinski's Rule of Five, 2-氯-N,N-二乙基乙胺硫酸盐(1:1) has 2 hydrogen bond donor(s) and 5 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 2-氯-N,N-二乙基乙胺硫酸盐(1:1)?
The CAS number of 2-氯-N,N-二乙基乙胺硫酸盐(1:1) is 67845-39-0.
What is the molecular formula of 2-氯-N,N-二乙基乙胺硫酸盐(1:1)?
The molecular formula of 2-氯-N,N-二乙基乙胺硫酸盐(1:1) is C6H16ClNO4S.
What is the molecular weight of 2-氯-N,N-二乙基乙胺硫酸盐(1:1)?
The molecular weight of 2-氯-N,N-二乙基乙胺硫酸盐(1:1) is 233.05 g/mol.
Where can I buy 2-氯-N,N-二乙基乙胺硫酸盐(1:1)?
You can request a quote for 2-氯-N,N-二乙基乙胺硫酸盐(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-N,N-二乙基乙胺硫酸盐(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-N,N-二乙基乙胺硫酸盐(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.