2-(Ethyl(3-methylphenyl)amino)acetonitrile
TL;DR: 2-(Ethyl(3-methylphenyl)amino)acetonitrile (CAS 63133-74-4) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-ethyl-3-methylanilino)acetonitrile
Also Known As: 2-(Ethyl(3-methylphenyl)amino)acetonitrile, (Ethyl(3-methylphenyl)amino)acetonitrile, [ethyl amino]acetonitrile, 2-[ethyl(3-methylphenyl)amino]acetonitrile, [ethyl(3-methylphenyl)amino]acetonitrile
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 63133-74-4 |
|---|---|
| SMILES | CCN(CC#N)C1=CC=CC(=C1)C |
| InChIKey | XLAYCZJJQWGFAZ-UHFFFAOYSA-N |
Product Overview
2-(Ethyl(3-methylphenyl)amino)acetonitrile (CAS 63133-74-4), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 2-(N-ethyl-3-methylanilino)acetonitrile.
Chemical Property Profile of 2-(Ethyl(3-methylphenyl)amino)acetonitrile
Property Insights of 2-(Ethyl(3-methylphenyl)amino)acetonitrile
The XLogP value of 3.0 indicates that 2-(Ethyl(3-methylphenyl)amino)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(Ethyl(3-methylphenyl)amino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethyl(3-methylphenyl)amino)acetonitrile 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 2-(Ethyl(3-methylphenyl)amino)acetonitrile?
The CAS number of 2-(Ethyl(3-methylphenyl)amino)acetonitrile is 63133-74-4.
What is the molecular formula of 2-(Ethyl(3-methylphenyl)amino)acetonitrile?
The molecular formula of 2-(Ethyl(3-methylphenyl)amino)acetonitrile is C11H14N2.
What is the molecular weight of 2-(Ethyl(3-methylphenyl)amino)acetonitrile?
The molecular weight of 2-(Ethyl(3-methylphenyl)amino)acetonitrile is 174.12 g/mol.
Where can I buy 2-(Ethyl(3-methylphenyl)amino)acetonitrile?
You can request a quote for 2-(Ethyl(3-methylphenyl)amino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethyl(3-methylphenyl)amino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethyl(3-methylphenyl)amino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.