Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate
TL;DR: Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate (CAS 101858-34-8) is a chemical compound with molecular formula C25H41N3O12 and molecular weight 575.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-N'-octyl-N'-pyridin-2-ylethane-1,2-diamine;oxalic acid
Also Known As: N-Dimethylaminoethyl-N-octyl-2-aminopyridine trioxalate, Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate, N,N-diethyl-N'-octyl-N'-pyridin-2-ylethane-1,2-diamine; oxalic acid, Oxalic acid--N~1~,N~1~-diethyl-N~2~-octyl-N~2~-(pyridin-2-yl)ethane-1,2-diamine (3/1), RefChem:1093834
| Molecular Formula | C25H41N3O12 |
|---|---|
| Molecular Weight | 575.27 g/mol |
| LogP | 2.0571 |
| Topological Polar Surface Area | 243.17 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 575.26904 |
| Heavy Atoms | 40 |
| Complexity | 783.99677 |
Chemical Identifiers
| CAS Number | 101858-34-8 |
|---|---|
| SMILES | CCCCCCCCN(CCN(CC)CC)C1=CC=CC=N1.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate (CAS 101858-34-8), with molecular formula C25H41N3O12 and molecular weight 575.27 g/mol. IUPAC: N,N-diethyl-N'-octyl-N'-pyridin-2-ylethane-1,2-diamine;oxalic acid.
Chemical Property Profile of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate
Property Insights of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate
The XLogP value of 2.0571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate. The TPSA of 243.17 Ų indicates high polarity, suggesting Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate?
The CAS number of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate is 101858-34-8.
What is the molecular formula of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate?
The molecular formula of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate is C25H41N3O12.
What is the molecular weight of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate?
The molecular weight of Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate is 575.27 g/mol.
Where can I buy Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate?
You can request a quote for Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate?
Yes, KEHONG BIO provides custom synthesis services for Octylamine, N-(2-(diethylamino)ethyl)-N-(2-pyridyl)-, trioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.