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Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)
TL;DR: Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) (CAS 63589-15-1) is a chemical compound with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)anilino]ethyl acetate;hydrochloride
Also Known As: Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, monohydrochloride, Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, monohydrochloride, 2-[(2-cyanoethyl)(phenyl)amino]ethyl acetate hydrochloride(1:1), 2-[N-(2-cyanoethyl)anilino]ethyl acetate hydrochloride, Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, hydrochloride (1:1)
| Molecular Formula | C13H17ClN2O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.09787 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 63589-15-1 |
|---|---|
| SMILES | CC(=O)OCCN(CCC#N)C1=CC=CC=C1.Cl |
| InChIKey | OYKVXOXIVDHGGI-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) (CAS 63589-15-1), with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol. IUPAC: 2-[N-(2-cyanoethyl)anilino]ethyl acetate;hydrochloride.
Chemical Property Profile of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)
Property Insights of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 53.3 Ų, Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) 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 Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)?
The CAS number of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) is 63589-15-1.
What is the molecular formula of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)?
The molecular formula of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) is C13H17ClN2O2.
What is the molecular weight of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)?
The molecular weight of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) is 268.10 g/mol.
Where can I buy Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)?
You can request a quote for Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.