2-(4-Aminophenyl)propiononitrile
TL;DR: 2-(4-Aminophenyl)propiononitrile (CAS 28694-90-8) is a chemical compound with molecular formula C9H10N2 and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)propanenitrile
Also Known As: 2-(4-aminophenyl)propanenitrile, 4-(1-Cyanoethyl)aniline, aminophenylpropanenitrile, 2-(4-Aminophenyl)propiononitrile, 4-aminophenylpropionitrile
| Molecular Formula | C9H10N2 |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.0844 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 28694-90-8 |
|---|---|
| SMILES | CC(C#N)C1=CC=C(C=C1)N |
| InChIKey | RZSVLKAIDMAXLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Aminophenyl)propiononitrile (CAS 28694-90-8), with molecular formula C9H10N2 and molecular weight 146.08 g/mol. IUPAC: 2-(4-aminophenyl)propanenitrile.
Chemical Property Profile of 2-(4-Aminophenyl)propiononitrile
Property Insights of 2-(4-Aminophenyl)propiononitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Aminophenyl)propiononitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-(4-Aminophenyl)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Aminophenyl)propiononitrile 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 2-(4-Aminophenyl)propiononitrile?
The CAS number of 2-(4-Aminophenyl)propiononitrile is 28694-90-8.
What is the molecular formula of 2-(4-Aminophenyl)propiononitrile?
The molecular formula of 2-(4-Aminophenyl)propiononitrile is C9H10N2.
What is the molecular weight of 2-(4-Aminophenyl)propiononitrile?
The molecular weight of 2-(4-Aminophenyl)propiononitrile is 146.08 g/mol.
Where can I buy 2-(4-Aminophenyl)propiononitrile?
You can request a quote for 2-(4-Aminophenyl)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Aminophenyl)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Aminophenyl)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.