![3-[(3-Chloro-4-methylphenyl)amino]propanenitrile structure](/static/products/5651/565166-65-6.webp)
3-[(3-Chloro-4-methylphenyl)amino]propanenitrile
TL;DR: 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile (CAS 565166-65-6) is a chemical compound with molecular formula C10H11ClN2 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylanilino)propanenitrile
Also Known As: 3-[(3-chloro-4-methylphenyl)amino]propanenitrile, 3-(3-chloro-4-methylanilino)propanenitrile, 3-(3-Chloro-4-methyl-phenylamino)-propionitrile, 3-(3-chloro-4-methyl-anilino)propanenitrile
| Molecular Formula | C10H11ClN2 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.974 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.06108 |
| Heavy Atoms | 13 |
| Complexity | 328.1869 |
Chemical Identifiers
| CAS Number | 565166-65-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCCC#N)Cl |
Product Overview
3-[(3-Chloro-4-methylphenyl)amino]propanenitrile (CAS 565166-65-6), with molecular formula C10H11ClN2 and molecular weight 194.06 g/mol. IUPAC: 3-(3-chloro-4-methylanilino)propanenitrile.
Chemical Property Profile of 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile
Property Insights of 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile
The XLogP value of 2.974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Chloro-4-methylphenyl)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-[(3-Chloro-4-methylphenyl)amino]propanenitrile?
The CAS number of 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile is 565166-65-6.
What is the molecular formula of 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile?
The molecular formula of 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile is C10H11ClN2.
What is the molecular weight of 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile?
The molecular weight of 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile is 194.06 g/mol.
Where can I buy 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile?
You can request a quote for 3-[(3-Chloro-4-methylphenyl)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-[(3-Chloro-4-methylphenyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chloro-4-methylphenyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.