2-(Heptyloxy)aniline
TL;DR: 2-(Heptyloxy)aniline (CAS 100696-48-8) is a chemical compound with molecular formula C13H21NO and molecular weight 207.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-heptoxyaniline
Also Known As: 2-(Heptyloxy)aniline, 2-heptoxyaniline, 2-heptyloxy-aniline, 2-Heptyloxy-phenylamine, Benzenamine, 2-(heptyloxy)-
Technical Specifications
| Molecular Formula | C13H21NO |
| Molecular Weight | 207.16231 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.16231 Da |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
| SMILES | CCCCCCCOC1=CC=CC=C1N |
| InChIKey | WJSHCVRUYNERKZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Heptyloxy)aniline
Property Insights of 2-(Heptyloxy)aniline
The XLogP value of 4.1 indicates that 2-(Heptyloxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 2-(Heptyloxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Heptyloxy)aniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Heptyloxy)aniline?
The CAS number of 2-(Heptyloxy)aniline is 100696-48-8.
What is the molecular formula of 2-(Heptyloxy)aniline?
The molecular formula of 2-(Heptyloxy)aniline is C13H21NO.
What is the molecular weight of 2-(Heptyloxy)aniline?
The molecular weight of 2-(Heptyloxy)aniline is 207.16231 g/mol.
Where can I buy 2-(Heptyloxy)aniline?
You can request a quote for 2-(Heptyloxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Heptyloxy)aniline?
Yes, CoreyChem provides custom synthesis services for 2-(Heptyloxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.