4-(1H-imidazol-1-yl)-3-methylaniline
TL;DR: 4-(1H-imidazol-1-yl)-3-methylaniline (CAS 461664-00-6) is a chemical compound with molecular formula C10H11N3 and molecular weight 173.09529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-imidazol-1-yl-3-methylaniline
Also Known As: 4-(1H-imidazol-1-yl)-3-methylaniline, 4-imidazol-1-yl-3-methylaniline, 4-(Imidazol-1-yl)-3-methylaniline, 4-imidazol-1-yl-3-methyl-aniline, 4-(Imidazol-1-yl)-3-methylbenzeneamine
Technical Specifications
| Molecular Formula | C10H11N3 |
| Molecular Weight | 173.09529 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.09529 Da |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| SMILES | CC1=C(C=CC(=C1)N)N2C=CN=C2 |
| InChIKey | IDERBIIMSOEWBR-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1H-imidazol-1-yl)-3-methylaniline
Property Insights of 4-(1H-imidazol-1-yl)-3-methylaniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-imidazol-1-yl)-3-methylaniline. With a topological polar surface area (TPSA) of 43.8 Ų, 4-(1H-imidazol-1-yl)-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-imidazol-1-yl)-3-methylaniline 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
What is the CAS number of 4-(1H-imidazol-1-yl)-3-methylaniline?
The CAS number of 4-(1H-imidazol-1-yl)-3-methylaniline is 461664-00-6.
What is the molecular formula of 4-(1H-imidazol-1-yl)-3-methylaniline?
The molecular formula of 4-(1H-imidazol-1-yl)-3-methylaniline is C10H11N3.
What is the molecular weight of 4-(1H-imidazol-1-yl)-3-methylaniline?
The molecular weight of 4-(1H-imidazol-1-yl)-3-methylaniline is 173.09529 g/mol.
Where can I buy 4-(1H-imidazol-1-yl)-3-methylaniline?
You can request a quote for 4-(1H-imidazol-1-yl)-3-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1H-imidazol-1-yl)-3-methylaniline?
Yes, CoreyChem provides custom synthesis services for 4-(1H-imidazol-1-yl)-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.