3-(Ethyl(3-methylphenyl)amino)propanenitrile
TL;DR: 3-(Ethyl(3-methylphenyl)amino)propanenitrile (CAS 148-69-6) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethyl-3-methylanilino)propanenitrile
Also Known As: n-Ethyl-n-cyanoethyl-m-toluidine, 3-(Ethyl(m-tolyl)amino)propanenitrile, N-(2-Cyanoethyl)-N-ethyl-m-toluidine, N-cyanoethyl-N-ethyl-m-toluidine, 3-(N-Ethyl-m-toluidino)propiononitrile
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 148-69-6 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC=CC(=C1)C |
| InChIKey | NPCCPMHHNIOSHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Ethyl(3-methylphenyl)amino)propanenitrile (CAS 148-69-6), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 3-(N-ethyl-3-methylanilino)propanenitrile.
Chemical Property Profile of 3-(Ethyl(3-methylphenyl)amino)propanenitrile
Property Insights of 3-(Ethyl(3-methylphenyl)amino)propanenitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethyl(3-methylphenyl)amino)propanenitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 3-(Ethyl(3-methylphenyl)amino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Ethyl(3-methylphenyl)amino)propanenitrile has 0 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-(Ethyl(3-methylphenyl)amino)propanenitrile?
The CAS number of 3-(Ethyl(3-methylphenyl)amino)propanenitrile is 148-69-6.
What is the molecular formula of 3-(Ethyl(3-methylphenyl)amino)propanenitrile?
The molecular formula of 3-(Ethyl(3-methylphenyl)amino)propanenitrile is C12H16N2.
What is the molecular weight of 3-(Ethyl(3-methylphenyl)amino)propanenitrile?
The molecular weight of 3-(Ethyl(3-methylphenyl)amino)propanenitrile is 188.13 g/mol.
Where can I buy 3-(Ethyl(3-methylphenyl)amino)propanenitrile?
You can request a quote for 3-(Ethyl(3-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-(Ethyl(3-methylphenyl)amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethyl(3-methylphenyl)amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.