3-(异辛氧基)-1-丙胺乙酸盐(1:1)
TL;DR: 3-(异辛氧基)-1-丙胺乙酸盐(1:1) (CAS 68379-12-4) is a chemical compound with molecular formula C13H29NO3 and molecular weight 247.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(异辛氧基)-1-丙胺乙酸盐(1:1)
acetic acid;3-(6-methylheptoxy)propan-1-amine
Also Known As: 3-(Isooctoxy)propylamine, acetate, 3-(Isooctyloxy)propylammonium acetate, 1-Propanamine, 3-(isooctyloxy)-, acetate, 1-Propanamine, 3-(isooctyloxy)-, acetate (1:1), 3-[(6-methylheptyl)oxy]propan-1-amine acetate(1:1)
| Molecular Formula | C13H29NO3 |
|---|---|
| Molecular Weight | 247.21 g/mol |
| LogP | 2.66 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 247.21474 |
| Heavy Atoms | 17 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 68379-12-4 |
|---|---|
| SMILES | CC(C)CCCCCOCCCN.CC(=O)O |
| InChIKey | GSIAFAPJNSNMOA-UHFFFAOYSA-N |
Product Overview
3-(异辛氧基)-1-丙胺乙酸盐(1:1) (CAS 68379-12-4), with molecular formula C13H29NO3 and molecular weight 247.21 g/mol. IUPAC: acetic acid;3-(6-methylheptoxy)propan-1-amine.
Chemical Property Profile of 3-(异辛氧基)-1-丙胺乙酸盐(1:1)
Property Insights of 3-(异辛氧基)-1-丙胺乙酸盐(1:1)
The XLogP value of 2.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(异辛氧基)-1-丙胺乙酸盐(1:1). The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(异辛氧基)-1-丙胺乙酸盐(1:1). Following Lipinski's Rule of Five, 3-(异辛氧基)-1-丙胺乙酸盐(1:1) has 2 hydrogen bond donor(s) and 4 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 3-(异辛氧基)-1-丙胺乙酸盐(1:1)?
The CAS number of 3-(异辛氧基)-1-丙胺乙酸盐(1:1) is 68379-12-4.
What is the molecular formula of 3-(异辛氧基)-1-丙胺乙酸盐(1:1)?
The molecular formula of 3-(异辛氧基)-1-丙胺乙酸盐(1:1) is C13H29NO3.
What is the molecular weight of 3-(异辛氧基)-1-丙胺乙酸盐(1:1)?
The molecular weight of 3-(异辛氧基)-1-丙胺乙酸盐(1:1) is 247.21 g/mol.
Where can I buy 3-(异辛氧基)-1-丙胺乙酸盐(1:1)?
You can request a quote for 3-(异辛氧基)-1-丙胺乙酸盐(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(异辛氧基)-1-丙胺乙酸盐(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(异辛氧基)-1-丙胺乙酸盐(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.