7-(Diethylamino)heptanenitrile
TL;DR: 7-(Diethylamino)heptanenitrile (CAS 19853-10-2) is a chemical compound with molecular formula C11H22N2 and molecular weight 182.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylamino)heptanenitrile
Also Known As: 7-(diethylamino)heptanenitrile, 2-Biphenylacetonitrile, Heptanenitrile, 7-(diethylamino)-, 7-diethylaminoheptanenitrile, 7-(DIETHYLAMINO)HEPTANONITRILE
| Molecular Formula | C11H22N2 |
|---|---|
| Molecular Weight | 182.18 g/mol |
| LogP | 2.80228 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 182.1783 |
| Heavy Atoms | 13 |
| Complexity | 133.51593 |
Chemical Identifiers
| CAS Number | 19853-10-2 |
|---|---|
| SMILES | CCN(CC)CCCCCCC#N |
Product Overview
7-(Diethylamino)heptanenitrile (CAS 19853-10-2), with molecular formula C11H22N2 and molecular weight 182.18 g/mol. IUPAC: 7-(diethylamino)heptanenitrile.
Chemical Property Profile of 7-(Diethylamino)heptanenitrile
Property Insights of 7-(Diethylamino)heptanenitrile
The XLogP value of 2.80228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Diethylamino)heptanenitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 7-(Diethylamino)heptanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Diethylamino)heptanenitrile has 0 hydrogen bond donor(s) and 2 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 7-(Diethylamino)heptanenitrile?
The CAS number of 7-(Diethylamino)heptanenitrile is 19853-10-2.
What is the molecular formula of 7-(Diethylamino)heptanenitrile?
The molecular formula of 7-(Diethylamino)heptanenitrile is C11H22N2.
What is the molecular weight of 7-(Diethylamino)heptanenitrile?
The molecular weight of 7-(Diethylamino)heptanenitrile is 182.18 g/mol.
Where can I buy 7-(Diethylamino)heptanenitrile?
You can request a quote for 7-(Diethylamino)heptanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Diethylamino)heptanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-(Diethylamino)heptanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.