![3-[(3,4-Dichlorophenyl)amino]propanenitrile structure](/static/products/3605/36053-75-5.webp)
3-[(3,4-Dichlorophenyl)amino]propanenitrile
TL;DR: 3-[(3,4-Dichlorophenyl)amino]propanenitrile (CAS 36053-75-5) is a chemical compound with molecular formula C9H8Cl2N2 and molecular weight 214.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichloroanilino)propanenitrile
Also Known As: starbld0038389, 3-[(3,4-dichlorophenyl)amino]propanenitrile, 3-(3,4-dichloroanilino)propanenitrile, 3-((3,4-Dichlorophenyl)amino)propanenitrile
| Molecular Formula | C9H8Cl2N2 |
|---|---|
| Molecular Weight | 214.01 g/mol |
| LogP | 3.31898 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.00645 |
| Heavy Atoms | 13 |
| Complexity | 330.87686 |
Chemical Identifiers
| CAS Number | 36053-75-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCCC#N)Cl)Cl |
Product Overview
3-[(3,4-Dichlorophenyl)amino]propanenitrile (CAS 36053-75-5), with molecular formula C9H8Cl2N2 and molecular weight 214.01 g/mol. IUPAC: 3-(3,4-dichloroanilino)propanenitrile.
Chemical Property Profile of 3-[(3,4-Dichlorophenyl)amino]propanenitrile
Property Insights of 3-[(3,4-Dichlorophenyl)amino]propanenitrile
The XLogP value of 3.31898 indicates that 3-[(3,4-Dichlorophenyl)amino]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 3-[(3,4-Dichlorophenyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-Dichlorophenyl)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-[(3,4-Dichlorophenyl)amino]propanenitrile?
The CAS number of 3-[(3,4-Dichlorophenyl)amino]propanenitrile is 36053-75-5.
What is the molecular formula of 3-[(3,4-Dichlorophenyl)amino]propanenitrile?
The molecular formula of 3-[(3,4-Dichlorophenyl)amino]propanenitrile is C9H8Cl2N2.
What is the molecular weight of 3-[(3,4-Dichlorophenyl)amino]propanenitrile?
The molecular weight of 3-[(3,4-Dichlorophenyl)amino]propanenitrile is 214.01 g/mol.
Where can I buy 3-[(3,4-Dichlorophenyl)amino]propanenitrile?
You can request a quote for 3-[(3,4-Dichlorophenyl)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-[(3,4-Dichlorophenyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-Dichlorophenyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.