Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1)
TL;DR: Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) (CAS 63589-09-3) is a chemical compound with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-hydroxyethyl)anilino]propanenitrile;hydrochloride
Also Known As: Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, monohydrochloride, Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-, monohydrochloride, Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1), 3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile hydrochloride(1:1), 3-[N-(2-hydroxyethyl)anilino]propanenitrile hydrochloride
| Molecular Formula | C11H15ClN2O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 1.82 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.0873 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 63589-09-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC#N)CCO.Cl |
| InChIKey | OYAQBZLXLJPFDL-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) (CAS 63589-09-3), with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol. IUPAC: 3-[N-(2-hydroxyethyl)anilino]propanenitrile;hydrochloride.
Chemical Property Profile of Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1)
Property Insights of Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1)
The XLogP value of 1.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 47.3 Ų, Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) has 2 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 Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1)?
The CAS number of Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) is 63589-09-3.
What is the molecular formula of Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1)?
The molecular formula of Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) is C11H15ClN2O.
What is the molecular weight of Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1)?
The molecular weight of Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) is 226.09 g/mol.
Where can I buy Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1)?
You can request a quote for Propanenitrile, 3-((2-hydroxyethyl)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-hydroxyethyl)phenylamino)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.