N-iso amyl aniline
TL;DR: N-iso amyl aniline (CAS 59472-05-8) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylbutyl)aniline
Also Known As: N-iso amyl aniline, N-(2-methylbutyl)aniline, N-(2-methyl-butyl)-aniline, J1.693.624C
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 59472-05-8 |
|---|---|
| SMILES | CCC(C)CNC1=CC=CC=C1 |
| InChIKey | JIWKXBBRZYONNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-iso amyl aniline (CAS 59472-05-8), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: N-(2-methylbutyl)aniline.
Chemical Property Profile of N-iso amyl aniline
Property Insights of N-iso amyl aniline
The XLogP value of 3.6 indicates that N-iso amyl aniline 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-iso amyl aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-iso amyl aniline 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-iso amyl aniline?
The CAS number of N-iso amyl aniline is 59472-05-8.
What is the molecular formula of N-iso amyl aniline?
The molecular formula of N-iso amyl aniline is C11H17N.
What is the molecular weight of N-iso amyl aniline?
The molecular weight of N-iso amyl aniline is 163.14 g/mol.
Where can I buy N-iso amyl aniline?
You can request a quote for N-iso amyl aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-iso amyl aniline?
Yes, KEHONG BIO provides custom synthesis services for N-iso amyl aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.