2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile
TL;DR: 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile (CAS 86147-93-5) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-2-(methylamino)acetonitrile
Also Known As: 2-(4-methoxyphenyl)-2-(methylamino)acetonitrile, (4-Methoxyphenyl)(methylamino)acetonitrile, NCI60_029206, J2.969.019G, 2-(Methylamino)-2-(4-methoxyphenyl)acetonitrile
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 86147-93-5 |
|---|---|
| SMILES | CNC(C#N)C1=CC=C(C=C1)OC |
| InChIKey | IRDYATXCQRCAGX-UHFFFAOYSA-N |
Product Overview
2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile (CAS 86147-93-5), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 2-(4-methoxyphenyl)-2-(methylamino)acetonitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile
Property Insights of 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile. With a topological polar surface area (TPSA) of 45.1 Ų, 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile has 1 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 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile?
The CAS number of 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile is 86147-93-5.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile?
The molecular formula of 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile is C10H12N2O.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile?
The molecular weight of 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile is 176.09 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile?
You can request a quote for 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.