N-丁基-3-碘苄胺
TL;DR: N-丁基-3-碘苄胺 (CAS 90389-61-0) is a chemical compound with molecular formula C11H16IN and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-丁基-3-碘苄胺
N-[(3-iodophenyl)methyl]butan-1-amine
Also Known As: Benzylamine der, Benzenemethanamine, N-butyl-3-iodo-, N-[(3-iodophenyl)methyl]butan-1-amine, n-butyl 3-iodobenzylamine, N-Butyl-3-iodobenzenemethanamine
| Molecular Formula | C11H16IN |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.03275 |
| Heavy Atoms | 13 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 90389-61-0 |
|---|---|
| SMILES | CCCCNCC1=CC(=CC=C1)I |
| InChIKey | QLCYKAJQHUGTBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-丁基-3-碘苄胺 (CAS 90389-61-0), with molecular formula C11H16IN and molecular weight 289.03 g/mol. IUPAC: N-[(3-iodophenyl)methyl]butan-1-amine.
Chemical Property Profile of N-丁基-3-碘苄胺
Property Insights of N-丁基-3-碘苄胺
The XLogP value of 3.2 indicates that N-丁基-3-碘苄胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-丁基-3-碘苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-丁基-3-碘苄胺 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 N-丁基-3-碘苄胺?
The CAS number of N-丁基-3-碘苄胺 is 90389-61-0.
What is the molecular formula of N-丁基-3-碘苄胺?
The molecular formula of N-丁基-3-碘苄胺 is C11H16IN.
What is the molecular weight of N-丁基-3-碘苄胺?
The molecular weight of N-丁基-3-碘苄胺 is 289.03 g/mol.
Where can I buy N-丁基-3-碘苄胺?
You can request a quote for N-丁基-3-碘苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-丁基-3-碘苄胺?
Yes, KEHONG BIO provides custom synthesis services for N-丁基-3-碘苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.