3-丁基苯胺
TL;DR: 3-丁基苯胺 (CAS 5369-17-5) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-丁基苯胺
3-butylaniline
Also Known As: 3-butylaniline, m-Butylaniline, 3-butylbenzenamine, 3-n-Butylaniline, Benzenamine, 3-butyl-
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 5369-17-5 |
|---|---|
| SMILES | CCCCC1=CC(=CC=C1)N |
| InChIKey | WMIQWIJPGVVMII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-丁基苯胺 (CAS 5369-17-5), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 3-butylaniline.
Chemical Property Profile of 3-丁基苯胺
Property Insights of 3-丁基苯胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-丁基苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3-丁基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-丁基苯胺 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 3-丁基苯胺?
The CAS number of 3-丁基苯胺 is 5369-17-5.
What is the molecular formula of 3-丁基苯胺?
The molecular formula of 3-丁基苯胺 is C10H15N.
What is the molecular weight of 3-丁基苯胺?
The molecular weight of 3-丁基苯胺 is 149.12 g/mol.
Where can I buy 3-丁基苯胺?
You can request a quote for 3-丁基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-丁基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-丁基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.