2-Cyanoethyl-ethyl-phenylazanium acetate
TL;DR: 2-Cyanoethyl-ethyl-phenylazanium acetate (CAS 83763-40-0) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl-ethyl-phenylazanium acetate
Also Known As: N- -N-ethylaniliniumacetate, N-(2-Cyanoethyl)-N-ethylanilinium acetate, EINECS 280-725-9, 2-cyanoethyl-ethyl-phenylazanium acetate
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | -0.10722 |
| Topological Polar Surface Area | 68.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 353.43225 |
Chemical Identifiers
| CAS Number | 83763-40-0 |
|---|---|
| SMILES | CC[NH+](CCC#N)C1=CC=CC=C1.CC(=O)[O-] |
Product Overview
2-Cyanoethyl-ethyl-phenylazanium acetate (CAS 83763-40-0), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 2-cyanoethyl-ethyl-phenylazanium acetate.
Chemical Property Profile of 2-Cyanoethyl-ethyl-phenylazanium acetate
Property Insights of 2-Cyanoethyl-ethyl-phenylazanium acetate
The XLogP value of -0.10722 indicates that 2-Cyanoethyl-ethyl-phenylazanium acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanoethyl-ethyl-phenylazanium acetate. Following Lipinski's Rule of Five, 2-Cyanoethyl-ethyl-phenylazanium acetate 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-Cyanoethyl-ethyl-phenylazanium acetate?
The CAS number of 2-Cyanoethyl-ethyl-phenylazanium acetate is 83763-40-0.
What is the molecular formula of 2-Cyanoethyl-ethyl-phenylazanium acetate?
The molecular formula of 2-Cyanoethyl-ethyl-phenylazanium acetate is C13H18N2O2.
What is the molecular weight of 2-Cyanoethyl-ethyl-phenylazanium acetate?
The molecular weight of 2-Cyanoethyl-ethyl-phenylazanium acetate is 234.14 g/mol.
Where can I buy 2-Cyanoethyl-ethyl-phenylazanium acetate?
You can request a quote for 2-Cyanoethyl-ethyl-phenylazanium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl-ethyl-phenylazanium acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl-ethyl-phenylazanium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.