![3-[(2-Fluorophenyl)amino]propanenitrile structure](/static/products/1928/192811-51-1.webp)
3-[(2-Fluorophenyl)amino]propanenitrile
TL;DR: 3-[(2-Fluorophenyl)amino]propanenitrile (CAS 192811-51-1) 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.
3-(2-fluoroanilino)propanenitrile
Also Known As: 3-(2-fluoroanilino)propanenitrile, 3-((2-Fluorophenyl)amino)propanenitrile, 3-[(2-fluorophenyl)amino]propanenitrile, 3-(2-Fluoro-phenylamino)-propionitrile, Propanenitrile, 3-[(2-fluorophenyl)amino]- (9CI)
| Molecular Formula | C9H9FN2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 2.15128 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.07498 |
| Heavy Atoms | 12 |
| Complexity | 290.82516 |
Chemical Identifiers
| CAS Number | 192811-51-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCCC#N)F |
Product Overview
3-[(2-Fluorophenyl)amino]propanenitrile (CAS 192811-51-1), with molecular formula C9H9FN2 and molecular weight 164.07 g/mol. IUPAC: 3-(2-fluoroanilino)propanenitrile.
Chemical Property Profile of 3-[(2-Fluorophenyl)amino]propanenitrile
Property Insights of 3-[(2-Fluorophenyl)amino]propanenitrile
The XLogP value of 2.15128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Fluorophenyl)amino]propanenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-[(2-Fluorophenyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Fluorophenyl)amino]propanenitrile has 1 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 3-[(2-Fluorophenyl)amino]propanenitrile?
The CAS number of 3-[(2-Fluorophenyl)amino]propanenitrile is 192811-51-1.
What is the molecular formula of 3-[(2-Fluorophenyl)amino]propanenitrile?
The molecular formula of 3-[(2-Fluorophenyl)amino]propanenitrile is C9H9FN2.
What is the molecular weight of 3-[(2-Fluorophenyl)amino]propanenitrile?
The molecular weight of 3-[(2-Fluorophenyl)amino]propanenitrile is 164.07 g/mol.
Where can I buy 3-[(2-Fluorophenyl)amino]propanenitrile?
You can request a quote for 3-[(2-Fluorophenyl)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-[(2-Fluorophenyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Fluorophenyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.