1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
TL;DR: 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- (CAS 23996-25-0) is a chemical compound with molecular formula C9H13N3 and molecular weight 163.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
Also Known As: 2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile, 3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile, 6-phenylhexan-1-ol, 1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole, 1-Cyanoethyl-2-ethyl-4-methylimidazole
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13N3 |
| Molecular Weight | 163.11095 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.11095 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CCC1=NC(=CN1CCC#N)C |
| InChIKey | UIDDPPKZYZTEGS-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
Property Insights of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-?
The CAS number of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- is 23996-25-0.
What is the molecular formula of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-?
The molecular formula of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- is C9H13N3.
What is the molecular weight of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-?
The molecular weight of 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- is 163.11095 g/mol.
Where can I buy 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-?
You can request a quote for 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.