Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-
TL;DR: Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- (CAS 119-95-9) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
Also Known As: 3-((2-Hydroxyethyl)(m-tolyl)amino)propanenitrile, N-(2-Cyanoethyl)-N-(2-hydroxyethyl)-m-toluidine, Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-, N-Cyanoethyl-N-hydroxyethyl-m-toluidine, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]propanenitrile
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 119-95-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(CCC#N)CCO |
| InChIKey | OSNNWHRYDJYFJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- (CAS 119-95-9), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: 3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile.
Chemical Property Profile of Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-
Property Insights of Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-. With a topological polar surface area (TPSA) of 47.3 Ų, Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- 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 Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-?
The CAS number of Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- is 119-95-9.
What is the molecular formula of Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-?
The molecular formula of Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- is C12H16N2O.
What is the molecular weight of Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-?
The molecular weight of Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- is 204.13 g/mol.
Where can I buy Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-?
You can request a quote for Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- 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)(3-methylphenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.