![2-[(Diethylamino)methyl]benzonitrile structure](/static/products/867/867330-04-9.png)
2-[(Diethylamino)methyl]benzonitrile
TL;DR: 2-[(Diethylamino)methyl]benzonitrile (CAS 867330-04-9) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylaminomethyl)benzonitrile
Also Known As: 2-[(diethylamino)methyl]benzonitrile, 2-(diethylaminomethyl)benzonitrile, 2-((Diethylamino)methyl)benzonitrile, cyano-N,N-diethylbenzenemethanamine, 102-394-0
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.40008 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 321.33878 |
Chemical Identifiers
| CAS Number | 867330-04-9 |
|---|---|
| SMILES | CCN(CC)CC1=CC=CC=C1C#N |
Product Overview
2-[(Diethylamino)methyl]benzonitrile (CAS 867330-04-9), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-(diethylaminomethyl)benzonitrile.
Chemical Property Profile of 2-[(Diethylamino)methyl]benzonitrile
Property Insights of 2-[(Diethylamino)methyl]benzonitrile
The XLogP value of 2.40008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Diethylamino)methyl]benzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 2-[(Diethylamino)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Diethylamino)methyl]benzonitrile 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 2-[(Diethylamino)methyl]benzonitrile?
The CAS number of 2-[(Diethylamino)methyl]benzonitrile is 867330-04-9.
What is the molecular formula of 2-[(Diethylamino)methyl]benzonitrile?
The molecular formula of 2-[(Diethylamino)methyl]benzonitrile is C12H16N2.
What is the molecular weight of 2-[(Diethylamino)methyl]benzonitrile?
The molecular weight of 2-[(Diethylamino)methyl]benzonitrile is 188.13 g/mol.
Where can I buy 2-[(Diethylamino)methyl]benzonitrile?
You can request a quote for 2-[(Diethylamino)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Diethylamino)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Diethylamino)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.