1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)
TL;DR: 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) (CAS 68877-35-0) is a chemical compound with molecular formula C16H36N2O3 and molecular weight 304.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N'-[3-(2-ethylhexoxy)propyl]propane-1,3-diamine
Also Known As: N-(3-((2-Ethylhexyl)oxy)propyl)propane-1,3-diamine monoacetate, N-(3-(2-Ethylhexyloxy)propyl)-1,3-propanediamine acetate (1:1), 1,3-Propanediamine, N-(3-((2-ethylhexyl)oxy)propyl)-, monoacetate, 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1), 1,3-Propanediamine, N-[3-[(2-ethylhexyl)oxy]propyl]-, monoacetate
| Molecular Formula | C16H36N2O3 |
|---|---|
| Molecular Weight | 304.27 g/mol |
| LogP | 2.64 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 304.27258 |
| Heavy Atoms | 21 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 68877-35-0 |
|---|---|
| SMILES | CCCCC(CC)COCCCNCCCN.CC(=O)O |
| InChIKey | UVOBIASOMQLCEF-UHFFFAOYSA-N |
Product Overview
1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) (CAS 68877-35-0), with molecular formula C16H36N2O3 and molecular weight 304.27 g/mol. IUPAC: acetic acid;N'-[3-(2-ethylhexoxy)propyl]propane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)
Property Insights of 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)
The XLogP value of 2.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1). The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1). Following Lipinski's Rule of Five, 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) has 3 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 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)?
The CAS number of 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) is 68877-35-0.
What is the molecular formula of 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)?
The molecular formula of 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) is C16H36N2O3.
What is the molecular weight of 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)?
The molecular weight of 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) is 304.27 g/mol.
Where can I buy 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)?
You can request a quote for 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N1-(3-((2-ethylhexyl)oxy)propyl)-, acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.