3-(4-Chloroanilino)propionitrile
TL;DR: 3-(4-Chloroanilino)propionitrile (CAS 41833-57-2) is a chemical compound with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloroanilino)propanenitrile
Also Known As: 3-[(4-chlorophenyl)amino]propanenitrile, 3-(4-chloroanilino)propanenitrile, 3-(4-Chloroanilino)propionitrile, 2-Fluoro-6-methylbenzoic acid, 3-[ AMINO]PROPANENITRILE
| Molecular Formula | C9H9ClN2 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 2.66558 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04543 |
| Heavy Atoms | 12 |
| Complexity | 273.57516 |
Chemical Identifiers
| CAS Number | 41833-57-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCC#N)Cl |
Product Overview
3-(4-Chloroanilino)propionitrile (CAS 41833-57-2), with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol. IUPAC: 3-(4-chloroanilino)propanenitrile.
Chemical Property Profile of 3-(4-Chloroanilino)propionitrile
Property Insights of 3-(4-Chloroanilino)propionitrile
The XLogP value of 2.66558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloroanilino)propionitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-(4-Chloroanilino)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloroanilino)propionitrile 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-(4-Chloroanilino)propionitrile?
The CAS number of 3-(4-Chloroanilino)propionitrile is 41833-57-2.
What is the molecular formula of 3-(4-Chloroanilino)propionitrile?
The molecular formula of 3-(4-Chloroanilino)propionitrile is C9H9ClN2.
What is the molecular weight of 3-(4-Chloroanilino)propionitrile?
The molecular weight of 3-(4-Chloroanilino)propionitrile is 180.05 g/mol.
Where can I buy 3-(4-Chloroanilino)propionitrile?
You can request a quote for 3-(4-Chloroanilino)propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloroanilino)propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloroanilino)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.