3-(1H-imidazol-1-yl)aniline
TL;DR: 3-(1H-imidazol-1-yl)aniline (CAS 112677-67-5) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imidazol-1-ylaniline
Also Known As: 3-(1H-imidazol-1-yl)aniline, 3-Imidazol-1-yl-phenylamine, 3-imidazol-1-ylaniline, 3-(1-Imidazolyl)aniline, 3-(imidazol-1-yl)aniline
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 112677-67-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=CN=C2)N |
| InChIKey | JVKJLZRWXBUBFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-imidazol-1-yl)aniline (CAS 112677-67-5), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 3-imidazol-1-ylaniline.
Chemical Property Profile of 3-(1H-imidazol-1-yl)aniline
Property Insights of 3-(1H-imidazol-1-yl)aniline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-imidazol-1-yl)aniline. With a topological polar surface area (TPSA) of 43.8 Ų, 3-(1H-imidazol-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-imidazol-1-yl)aniline 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 3-(1H-imidazol-1-yl)aniline?
The CAS number of 3-(1H-imidazol-1-yl)aniline is 112677-67-5.
What is the molecular formula of 3-(1H-imidazol-1-yl)aniline?
The molecular formula of 3-(1H-imidazol-1-yl)aniline is C9H9N3.
What is the molecular weight of 3-(1H-imidazol-1-yl)aniline?
The molecular weight of 3-(1H-imidazol-1-yl)aniline is 159.08 g/mol.
Where can I buy 3-(1H-imidazol-1-yl)aniline?
You can request a quote for 3-(1H-imidazol-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-imidazol-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-imidazol-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.