3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile
TL;DR: 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile (CAS 119-97-1) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile
Also Known As: 3-(ethyl(4-formyl-3-methylphenyl)amino)propanenitrile, 2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde, 3-[ethyl(4-formyl-3-methylphenyl)amino]propanenitrile, 3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile, Propanenitrile, 3-[ethyl(4-formyl-3-methylphenyl)amino]-
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 119-97-1 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)C=O)C |
| InChIKey | VTXVKMVZEXXUIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile (CAS 119-97-1), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile.
Chemical Property Profile of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile
Property Insights of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile has 0 hydrogen bond donor(s) and 3 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(4-formyl-3-methylphenyl)amino)propiononitrile?
The CAS number of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile is 119-97-1.
What is the molecular formula of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile?
The molecular formula of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile is C13H16N2O.
What is the molecular weight of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile?
The molecular weight of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile is 216.13 g/mol.
Where can I buy 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile?
You can request a quote for 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.