![2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 structure](/static/products/944/94459-09-3.png)
2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈
TL;DR: 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 (CAS 94459-09-3) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈
2-[(2,4-dimethoxyphenyl)methylamino]acetonitrile
Also Known As: [(2,4-dimethoxybenzyl)amino]acetonitrile|2-([(2,4-Dimethoxyphenyl)methyl]amino)acetonitrile|2-[(2,4-dimethoxyphenyl)methylamino]acetonitrile
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 94459-09-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CNCC#N)OC |
| InChIKey | DOVKINZSEUSJDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 (CAS 94459-09-3), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 2-[(2,4-dimethoxyphenyl)methylamino]acetonitrile.
Chemical Property Profile of 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈
Property Insights of 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈. With a topological polar surface area (TPSA) of 54.3 Ų, 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 has 1 hydrogen bond donor(s) and 4 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-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈?
The CAS number of 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 is 94459-09-3.
What is the molecular formula of 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈?
The molecular formula of 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 is C11H14N2O2.
What is the molecular weight of 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈?
The molecular weight of 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 is 206.11 g/mol.
Where can I buy 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈?
You can request a quote for 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2,4-二甲氧基苯基)甲基]氨基}乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.