Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1)
TL;DR: Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) (CAS 63589-39-9) is a chemical compound with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethylanilino)propanenitrile;hydrochloride
Also Known As: Propanenitrile, 3-(ethylphenylamino)-, monohydrochloride, 3-(N-ethylanilino)propanenitrile hydrochloride, Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1), 3-[ethyl(phenyl)amino]propanenitrile hydrochloride(1:1), 3-[Ethyl(phenyl)amino]propanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C11H15ClN2 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.85 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.09238 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 63589-39-9 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC=CC=C1.Cl |
| InChIKey | ZUBVXBCBFPEUJU-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) (CAS 63589-39-9), with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol. IUPAC: 3-(N-ethylanilino)propanenitrile;hydrochloride.
Chemical Property Profile of Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1)
Property Insights of Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1)
The XLogP value of 2.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 27.0 Ų, Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) has 1 hydrogen bond donor(s) and 2 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-(ethylphenylamino)-, hydrochloride (1:1)?
The CAS number of Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) is 63589-39-9.
What is the molecular formula of Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1)?
The molecular formula of Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) is C11H15ClN2.
What is the molecular weight of Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1)?
The molecular weight of Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) is 210.09 g/mol.
Where can I buy Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1)?
You can request a quote for Propanenitrile, 3-(ethylphenylamino)-, 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-(ethylphenylamino)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(ethylphenylamino)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.