![2-[Octyl(2-phenylethyl)amino]acetonitrile structure](/static/products/128/128297-88-1.webp)
2-[Octyl(2-phenylethyl)amino]acetonitrile
TL;DR: 2-[Octyl(2-phenylethyl)amino]acetonitrile (CAS 128297-88-1) is a chemical compound with molecular formula C18H28N2 and molecular weight 272.22525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[octyl(2-phenylethyl)amino]acetonitrile
Also Known As: 2-(octyl(phenethyl)amino)acetonitrile, 2-(octyl-phenethyl-amino)acetonitrile, 2-[octyl(phenethyl)amino]acetonitrile
Technical Specifications
| Molecular Formula | C18H28N2 |
| Molecular Weight | 272.22525 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 272.22525 Da |
| Heavy Atoms | 20 |
| Complexity | 260.0 |
| SMILES | CCCCCCCCN(CCC1=CC=CC=C1)CC#N |
| InChIKey | IDYOYHGRBDZLOP-UHFFFAOYSA-N |
Chemical Property Profile of 2-[Octyl(2-phenylethyl)amino]acetonitrile
Property Insights of 2-[Octyl(2-phenylethyl)amino]acetonitrile
The XLogP value of 5.4 indicates that 2-[Octyl(2-phenylethyl)amino]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 2-[Octyl(2-phenylethyl)amino]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Octyl(2-phenylethyl)amino]acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[Octyl(2-phenylethyl)amino]acetonitrile?
The CAS number of 2-[Octyl(2-phenylethyl)amino]acetonitrile is 128297-88-1.
What is the molecular formula of 2-[Octyl(2-phenylethyl)amino]acetonitrile?
The molecular formula of 2-[Octyl(2-phenylethyl)amino]acetonitrile is C18H28N2.
What is the molecular weight of 2-[Octyl(2-phenylethyl)amino]acetonitrile?
The molecular weight of 2-[Octyl(2-phenylethyl)amino]acetonitrile is 272.22525 g/mol.
Where can I buy 2-[Octyl(2-phenylethyl)amino]acetonitrile?
You can request a quote for 2-[Octyl(2-phenylethyl)amino]acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[Octyl(2-phenylethyl)amino]acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[Octyl(2-phenylethyl)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.