3-(1H-Imidazol-1-ylmethyl)aniline
TL;DR: 3-(1H-Imidazol-1-ylmethyl)aniline (CAS 120107-85-9) is a chemical compound with molecular formula C10H11N3 and molecular weight 173.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(imidazol-1-ylmethyl)aniline
Also Known As: 3-(1H-imidazol-1-ylmethyl)aniline, 3-(1-Imidazolylmethyl)aniline, 3-(imidazol-1-ylmethyl)aniline, null, 3-((1H-imidazol-1-yl)methyl)aniline
| Molecular Formula | C10H11N3 |
|---|---|
| Molecular Weight | 173.10 g/mol |
| LogP | 1.5136 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.09529 |
| Heavy Atoms | 13 |
| Complexity | 378.8282 |
Chemical Identifiers
| CAS Number | 120107-85-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)CN2C=CN=C2 |
Product Overview
3-(1H-Imidazol-1-ylmethyl)aniline (CAS 120107-85-9), with molecular formula C10H11N3 and molecular weight 173.10 g/mol. IUPAC: 3-(imidazol-1-ylmethyl)aniline.
Chemical Property Profile of 3-(1H-Imidazol-1-ylmethyl)aniline
Property Insights of 3-(1H-Imidazol-1-ylmethyl)aniline
The XLogP value of 1.5136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-Imidazol-1-ylmethyl)aniline. With a topological polar surface area (TPSA) of 43.84 Ų, 3-(1H-Imidazol-1-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-Imidazol-1-ylmethyl)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-ylmethyl)aniline?
The CAS number of 3-(1H-Imidazol-1-ylmethyl)aniline is 120107-85-9.
What is the molecular formula of 3-(1H-Imidazol-1-ylmethyl)aniline?
The molecular formula of 3-(1H-Imidazol-1-ylmethyl)aniline is C10H11N3.
What is the molecular weight of 3-(1H-Imidazol-1-ylmethyl)aniline?
The molecular weight of 3-(1H-Imidazol-1-ylmethyl)aniline is 173.10 g/mol.
Where can I buy 3-(1H-Imidazol-1-ylmethyl)aniline?
You can request a quote for 3-(1H-Imidazol-1-ylmethyl)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-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Imidazol-1-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.