3-Iodobenzylamine
TL;DR: 3-Iodobenzylamine (CAS 696-40-2) is a chemical compound with molecular formula C7H8IN and molecular weight 232.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-iodophenyl)methanamine
Also Known As: 3-Iodobenzylamine, (3-iodophenyl)methanamine, 3-Iodobenzyl amine, meta-Iodobenzylamine, null
| Molecular Formula | C7H8IN |
|---|---|
| Molecular Weight | 232.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.97015 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 696-40-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)CN |
| InChIKey | LQLOGZQVKUNBRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Iodobenzylamine (CAS 696-40-2), with molecular formula C7H8IN and molecular weight 232.97 g/mol. IUPAC: (3-iodophenyl)methanamine.
Chemical Property Profile of 3-Iodobenzylamine
Property Insights of 3-Iodobenzylamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodobenzylamine. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Iodobenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodobenzylamine has 1 hydrogen bond donor(s) and 1 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-Iodobenzylamine?
The CAS number of 3-Iodobenzylamine is 696-40-2.
What is the molecular formula of 3-Iodobenzylamine?
The molecular formula of 3-Iodobenzylamine is C7H8IN.
What is the molecular weight of 3-Iodobenzylamine?
The molecular weight of 3-Iodobenzylamine is 232.97 g/mol.
Where can I buy 3-Iodobenzylamine?
You can request a quote for 3-Iodobenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodobenzylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodobenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.