仲丁基苯胺
TL;DR: 仲丁基苯胺 (CAS 5369-18-6) 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.
仲丁基苯胺
3-butan-2-ylaniline
Also Known As: 3-(butan-2-yl)aniline, SEC-BUTYLANILINE, 3-sec-Butylaniline, 3-butan-2-ylaniline, Benzenamine, ar-(1-methylpropyl)-
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 5369-18-6 |
|---|---|
| SMILES | CCC(C)C1=CC(=CC=C1)N |
| InChIKey | KXTQLJHNRFFXNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
仲丁基苯胺 (CAS 5369-18-6), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 3-butan-2-ylaniline.
Chemical Property Profile of 仲丁基苯胺
Property Insights of 仲丁基苯胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 仲丁基苯胺. With a topological polar surface area (TPSA) of 26.0 Ų, 仲丁基苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 仲丁基苯胺 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 仲丁基苯胺?
The CAS number of 仲丁基苯胺 is 5369-18-6.
What is the molecular formula of 仲丁基苯胺?
The molecular formula of 仲丁基苯胺 is C10H15N.
What is the molecular weight of 仲丁基苯胺?
The molecular weight of 仲丁基苯胺 is 149.12 g/mol.
Where can I buy 仲丁基苯胺?
You can request a quote for 仲丁基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 仲丁基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 仲丁基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.