4-Heptylaniline
TL;DR: 4-Heptylaniline (CAS 37529-27-4) 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.
4-heptylaniline
Also Known As: 4-Heptylaniline, p-Heptylaniline, 4-n-Heptylaniline, 4-Heptyaniline, Benzenamine, 4-heptyl-
| Molecular Formula | C13H21N |
|---|---|
| Molecular Weight | 191.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.1674 |
| Heavy Atoms | 14 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 37529-27-4 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)N |
| InChIKey | BNEWZYZRLNNWNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Heptylaniline (CAS 37529-27-4), with molecular formula C13H21N and molecular weight 191.17 g/mol. IUPAC: 4-heptylaniline.
Chemical Property Profile of 4-Heptylaniline
Property Insights of 4-Heptylaniline
The XLogP value of 4.5 indicates that 4-Heptylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Heptylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptylaniline 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 4-Heptylaniline?
The CAS number of 4-Heptylaniline is 37529-27-4.
What is the molecular formula of 4-Heptylaniline?
The molecular formula of 4-Heptylaniline is C13H21N.
What is the molecular weight of 4-Heptylaniline?
The molecular weight of 4-Heptylaniline is 191.17 g/mol.
Where can I buy 4-Heptylaniline?
You can request a quote for 4-Heptylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.