Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-
TL;DR: Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- (CAS 67845-51-6) is a chemical compound with molecular formula C13H17N and molecular weight 187.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-(4-propan-2-ylphenyl)propanenitrile
Also Known As: 3-2-methylpropiononitrile, 3- -2-methylpropiononitrile, alpha-Methyl-p-isopropylphenylpropionitrile, 3-(4-isopropylphenyl)-2-methylpropanenitrile, 3-(p-Isopropylphenyl)-2-methylpropiononitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H17N |
| Molecular Weight | 187.1361 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.1361 Da |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| SMILES | CC(C)C1=CC=C(C=C1)CC(C)C#N |
| InChIKey | MCYOGOKMJRETFY-UHFFFAOYSA-N |
Chemical Property Profile of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-
Property Insights of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-
The XLogP value of 3.6 indicates that Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-?
The CAS number of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- is 67845-51-6.
What is the molecular formula of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-?
The molecular formula of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- is C13H17N.
What is the molecular weight of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-?
The molecular weight of Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- is 187.1361 g/mol.
Where can I buy Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-?
You can request a quote for Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzenepropanenitrile, alpha-methyl-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.