3-(Allyloxy)aniline hydrochloride
TL;DR: 3-(Allyloxy)aniline hydrochloride (CAS 462068-46-8) is a chemical compound with molecular formula C9H12ClNO and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enoxyaniline;hydrochloride
Also Known As: 3-(ALLYLOXY)ANILINE HYDROCHLORIDE, 3-allyloxyaniline, 3-prop-2-enoxyaniline;hydrochloride, 3-allyloxyaniline;hydrochloride, 3-Allyloxyaniline hydrochloride
| Molecular Formula | C9H12ClNO |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 2.2554 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.06075 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 462068-46-8 |
|---|---|
| SMILES | C=CCOC1=CC=CC(=C1)N.Cl |
| InChIKey | VXFFQUVZYWQDBJ-UHFFFAOYSA-N |
Product Overview
3-(Allyloxy)aniline hydrochloride (CAS 462068-46-8), with molecular formula C9H12ClNO and molecular weight 185.06 g/mol. IUPAC: 3-prop-2-enoxyaniline;hydrochloride.
Chemical Property Profile of 3-(Allyloxy)aniline hydrochloride
Property Insights of 3-(Allyloxy)aniline hydrochloride
The XLogP value of 2.2554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Allyloxy)aniline hydrochloride. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(Allyloxy)aniline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Allyloxy)aniline hydrochloride has 2 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 hydrochloride?
The CAS number of 3-(Allyloxy)aniline hydrochloride is 462068-46-8.
What is the molecular formula of 3-(Allyloxy)aniline hydrochloride?
The molecular formula of 3-(Allyloxy)aniline hydrochloride is C9H12ClNO.
What is the molecular weight of 3-(Allyloxy)aniline hydrochloride?
The molecular weight of 3-(Allyloxy)aniline hydrochloride is 185.06 g/mol.
Where can I buy 3-(Allyloxy)aniline hydrochloride?
You can request a quote for 3-(Allyloxy)aniline hydrochloride 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 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(Allyloxy)aniline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.