N-hexyl-3-methylaniline
TL;DR: N-hexyl-3-methylaniline (CAS 145567-64-2) is a chemical compound with molecular formula C13H21N and molecular weight 191.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hexyl-3-methylaniline
Also Known As: N-hexyl-3-methylaniline, J3.497.916B
| Molecular Formula | C13H21N |
|---|---|
| Molecular Weight | 191.17 g/mol |
| LogP | 3.98722 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.1674 |
| Heavy Atoms | 14 |
| Complexity | 255.1674 |
Chemical Identifiers
| CAS Number | 145567-64-2 |
|---|---|
| SMILES | CCCCCCNC1=CC=CC(=C1)C |
Product Overview
N-hexyl-3-methylaniline (CAS 145567-64-2), with molecular formula C13H21N and molecular weight 191.17 g/mol. IUPAC: N-hexyl-3-methylaniline.
Chemical Property Profile of N-hexyl-3-methylaniline
Property Insights of N-hexyl-3-methylaniline
The XLogP value of 3.98722 indicates that N-hexyl-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-hexyl-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-hexyl-3-methylaniline 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-hexyl-3-methylaniline?
The CAS number of N-hexyl-3-methylaniline is 145567-64-2.
What is the molecular formula of N-hexyl-3-methylaniline?
The molecular formula of N-hexyl-3-methylaniline is C13H21N.
What is the molecular weight of N-hexyl-3-methylaniline?
The molecular weight of N-hexyl-3-methylaniline is 191.17 g/mol.
Where can I buy N-hexyl-3-methylaniline?
You can request a quote for N-hexyl-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-hexyl-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-hexyl-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.