![2-[Cyanomethyl(octyl)amino]acetonitrile structure](/static/products/871/87175-25-5.png)
2-[Cyanomethyl(octyl)amino]acetonitrile
TL;DR: 2-[Cyanomethyl(octyl)amino]acetonitrile (CAS 87175-25-5) is a chemical compound with molecular formula C12H21N3 and molecular weight 207.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyanomethyl(octyl)amino]acetonitrile
Also Known As: octylimino-di-acetonitrile, 2-(cyanomethyl-octyl-amino)acetonitrile, 2-[cyanomethyl(octyl)amino]acetonitrile
| Molecular Formula | C12H21N3 |
|---|---|
| Molecular Weight | 207.17 g/mol |
| LogP | 2.69606 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 207.17355 |
| Heavy Atoms | 15 |
| Complexity | 195.88757 |
Chemical Identifiers
| CAS Number | 87175-25-5 |
|---|---|
| SMILES | CCCCCCCCN(CC#N)CC#N |
Product Overview
2-[Cyanomethyl(octyl)amino]acetonitrile (CAS 87175-25-5), with molecular formula C12H21N3 and molecular weight 207.17 g/mol. IUPAC: 2-[cyanomethyl(octyl)amino]acetonitrile.
Chemical Property Profile of 2-[Cyanomethyl(octyl)amino]acetonitrile
Property Insights of 2-[Cyanomethyl(octyl)amino]acetonitrile
The XLogP value of 2.69606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Cyanomethyl(octyl)amino]acetonitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-[Cyanomethyl(octyl)amino]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Cyanomethyl(octyl)amino]acetonitrile has 0 hydrogen bond donor(s) and 3 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-[Cyanomethyl(octyl)amino]acetonitrile?
The CAS number of 2-[Cyanomethyl(octyl)amino]acetonitrile is 87175-25-5.
What is the molecular formula of 2-[Cyanomethyl(octyl)amino]acetonitrile?
The molecular formula of 2-[Cyanomethyl(octyl)amino]acetonitrile is C12H21N3.
What is the molecular weight of 2-[Cyanomethyl(octyl)amino]acetonitrile?
The molecular weight of 2-[Cyanomethyl(octyl)amino]acetonitrile is 207.17 g/mol.
Where can I buy 2-[Cyanomethyl(octyl)amino]acetonitrile?
You can request a quote for 2-[Cyanomethyl(octyl)amino]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Cyanomethyl(octyl)amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Cyanomethyl(octyl)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.