3-(Allyloxy)aniline
TL;DR: 3-(Allyloxy)aniline (CAS 74900-81-5) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enoxyaniline
Also Known As: 3-(allyloxy)aniline, 3-prop-2-enoxyaniline, 3-allyloxyaniline, 3-(prop-2-en-1-yloxy)aniline, DIISOBUTYLFUMARATE
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 74900-81-5 |
|---|---|
| SMILES | C=CCOC1=CC=CC(=C1)N |
| InChIKey | HQZRFXBFXJEYID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Allyloxy)aniline (CAS 74900-81-5), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 3-prop-2-enoxyaniline.
Chemical Property Profile of 3-(Allyloxy)aniline
Property Insights of 3-(Allyloxy)aniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Allyloxy)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(Allyloxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Allyloxy)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
Frequently Asked Questions
What is the CAS number of 3-(Allyloxy)aniline?
The CAS number of 3-(Allyloxy)aniline is 74900-81-5.
What is the molecular formula of 3-(Allyloxy)aniline?
The molecular formula of 3-(Allyloxy)aniline is C9H11NO.
What is the molecular weight of 3-(Allyloxy)aniline?
The molecular weight of 3-(Allyloxy)aniline is 149.08 g/mol.
Where can I buy 3-(Allyloxy)aniline?
You can request a quote for 3-(Allyloxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Allyloxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Allyloxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.