![3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile structure](/static/products/2004/2004-62-8.webp)
3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile
TL;DR: 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile (CAS 2004-62-8) is a chemical compound with molecular formula C12H22N4 and molecular weight 222.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(2-cyanoethylamino)hexylamino]propanenitrile
Also Known As: 3,11-TETRADECADIYNE, 3-[6-(2-Cyano-ethylamino)-hexylamino]-propionitrile, 3-({6-[(2-cyanoethyl)amino]hexyl}amino)propanenitrile, 3-[6-(2-cyanoethylamino)hexylamino]propanenitrile, 1,6-Bis(beta-cyanoethylamino)hexane
| Molecular Formula | C12H22N4 |
|---|---|
| Molecular Weight | 222.18 g/mol |
| LogP | 1.55336 |
| Topological Polar Surface Area | 71.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 222.18445 |
| Heavy Atoms | 16 |
| Complexity | 190.0391 |
Chemical Identifiers
| CAS Number | 2004-62-8 |
|---|---|
| SMILES | C(CCCNCCC#N)CCNCCC#N |
Product Overview
3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile (CAS 2004-62-8), with molecular formula C12H22N4 and molecular weight 222.18 g/mol. IUPAC: 3-[6-(2-cyanoethylamino)hexylamino]propanenitrile.
Chemical Property Profile of 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile
Property Insights of 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile
The XLogP value of 1.55336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile. The TPSA of 71.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile. Following Lipinski's Rule of Five, 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile 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-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile?
The CAS number of 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile is 2004-62-8.
What is the molecular formula of 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile?
The molecular formula of 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile is C12H22N4.
What is the molecular weight of 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile?
The molecular weight of 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile is 222.18 g/mol.
Where can I buy 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile?
You can request a quote for 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-({6-[(2-Cyanoethyl)amino]hexyl}amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.