N-(2-Cyanoethyl)-N-methylaniline
TL;DR: N-(2-Cyanoethyl)-N-methylaniline (CAS 94-34-8) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-methylanilino)propanenitrile
Also Known As: 3-(Methyl(phenyl)amino)propanenitrile, N-(2-Cyanoethyl)-N-methylaniline, Propanenitrile, 3-(methylphenylamino)-, N-Cyanoethyl-N-methylaniline, N-Methyl-N-(2-cyanoethyl)aniline
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 94-34-8 |
|---|---|
| SMILES | CN(CCC#N)C1=CC=CC=C1 |
| InChIKey | IXXLKTZOCSRXEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Cyanoethyl)-N-methylaniline (CAS 94-34-8), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 3-(N-methylanilino)propanenitrile.
Chemical Property Profile of N-(2-Cyanoethyl)-N-methylaniline
Property Insights of N-(2-Cyanoethyl)-N-methylaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Cyanoethyl)-N-methylaniline. With a topological polar surface area (TPSA) of 27.0 Ų, N-(2-Cyanoethyl)-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Cyanoethyl)-N-methylaniline 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 N-(2-Cyanoethyl)-N-methylaniline?
The CAS number of N-(2-Cyanoethyl)-N-methylaniline is 94-34-8.
What is the molecular formula of N-(2-Cyanoethyl)-N-methylaniline?
The molecular formula of N-(2-Cyanoethyl)-N-methylaniline is C10H12N2.
What is the molecular weight of N-(2-Cyanoethyl)-N-methylaniline?
The molecular weight of N-(2-Cyanoethyl)-N-methylaniline is 160.10 g/mol.
Where can I buy N-(2-Cyanoethyl)-N-methylaniline?
You can request a quote for N-(2-Cyanoethyl)-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyanoethyl)-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanoethyl)-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.