![Propanenitrile, 3-[(2-chlorophenyl)amino]- structure](/static/products/9489/94-89-3.webp)
Propanenitrile, 3-[(2-chlorophenyl)amino]-
TL;DR: Propanenitrile, 3-[(2-chlorophenyl)amino]- (CAS 94-89-3) 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-(2-chloroanilino)propanenitrile
Also Known As: 3-[(2-Chlorophenyl)amino]propanenitrile, 3-((2-Chlorophenyl)amino)propanenitrile, 3-(2-chloroanilino)propanenitrile, Propanenitrile, 3-[(2-chlorophenyl)amino]-, 3-(2-chlorophenylamino)propanenitrile
| Molecular Formula | C9H9ClN2 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04543 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 94-89-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCCC#N)Cl |
| InChIKey | WZAUNZSICROOPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-[(2-chlorophenyl)amino]- (CAS 94-89-3), with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol. IUPAC: 3-(2-chloroanilino)propanenitrile.
Chemical Property Profile of Propanenitrile, 3-[(2-chlorophenyl)amino]-
Property Insights of Propanenitrile, 3-[(2-chlorophenyl)amino]-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-[(2-chlorophenyl)amino]-. With a topological polar surface area (TPSA) of 35.8 Ų, Propanenitrile, 3-[(2-chlorophenyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-[(2-chlorophenyl)amino]- 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 Propanenitrile, 3-[(2-chlorophenyl)amino]-?
The CAS number of Propanenitrile, 3-[(2-chlorophenyl)amino]- is 94-89-3.
What is the molecular formula of Propanenitrile, 3-[(2-chlorophenyl)amino]-?
The molecular formula of Propanenitrile, 3-[(2-chlorophenyl)amino]- is C9H9ClN2.
What is the molecular weight of Propanenitrile, 3-[(2-chlorophenyl)amino]-?
The molecular weight of Propanenitrile, 3-[(2-chlorophenyl)amino]- is 180.05 g/mol.
Where can I buy Propanenitrile, 3-[(2-chlorophenyl)amino]-?
You can request a quote for Propanenitrile, 3-[(2-chlorophenyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-[(2-chlorophenyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[(2-chlorophenyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.