2-Dimethylamino-6-fluorobenzonitrile
TL;DR: 2-Dimethylamino-6-fluorobenzonitrile (CAS 96994-73-9) is a chemical compound with molecular formula C9H9FN2 and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)-6-fluorobenzonitrile
Also Known As: 2-Dimethylamino-6-fluorobenzonitrile, 2-(dimethylamino)-6-fluorobenzonitrile, 2-(dimethylamino)-6-fluoro-benzonitrile, 4546AF, 2-(Dimethylamino)-6-fluorobenzonitril
| Molecular Formula | C9H9FN2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 1.76338 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.07498 |
| Heavy Atoms | 12 |
| Complexity | 325.79068 |
Chemical Identifiers
| CAS Number | 96994-73-9 |
|---|---|
| SMILES | CN(C)C1=C(C(=CC=C1)F)C#N |
Product Overview
2-Dimethylamino-6-fluorobenzonitrile (CAS 96994-73-9), with molecular formula C9H9FN2 and molecular weight 164.07 g/mol. IUPAC: 2-(dimethylamino)-6-fluorobenzonitrile.
Chemical Property Profile of 2-Dimethylamino-6-fluorobenzonitrile
Property Insights of 2-Dimethylamino-6-fluorobenzonitrile
The XLogP value of 1.76338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Dimethylamino-6-fluorobenzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 2-Dimethylamino-6-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dimethylamino-6-fluorobenzonitrile 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-Dimethylamino-6-fluorobenzonitrile?
The CAS number of 2-Dimethylamino-6-fluorobenzonitrile is 96994-73-9.
What is the molecular formula of 2-Dimethylamino-6-fluorobenzonitrile?
The molecular formula of 2-Dimethylamino-6-fluorobenzonitrile is C9H9FN2.
What is the molecular weight of 2-Dimethylamino-6-fluorobenzonitrile?
The molecular weight of 2-Dimethylamino-6-fluorobenzonitrile is 164.07 g/mol.
Where can I buy 2-Dimethylamino-6-fluorobenzonitrile?
You can request a quote for 2-Dimethylamino-6-fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dimethylamino-6-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Dimethylamino-6-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.