N-(Alpha-allylbenzyl)aniline
TL;DR: N-(Alpha-allylbenzyl)aniline (CAS 66489-79-0) is a chemical compound with molecular formula C16H17N and molecular weight 223.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-phenylbut-3-enyl)aniline
Also Known As: N-(alpha-Allylbenzyl)aniline, N-(1-phenyl-3-butenyl)aniline, N-(1-phenylbut-3-enyl)aniline, N-(1-phenylbut-3-en-1-yl)aniline, Phenyl-(1-phenyl-but-3-enyl)-amine
| Molecular Formula | C16H17N |
|---|---|
| Molecular Weight | 223.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.1361 |
| Heavy Atoms | 17 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 66489-79-0 |
|---|---|
| SMILES | C=CCC(C1=CC=CC=C1)NC2=CC=CC=C2 |
| InChIKey | ANACTCJTOPAQMB-UHFFFAOYSA-N |
Product Overview
N-(Alpha-allylbenzyl)aniline (CAS 66489-79-0), with molecular formula C16H17N and molecular weight 223.14 g/mol. IUPAC: N-(1-phenylbut-3-enyl)aniline.
Chemical Property Profile of N-(Alpha-allylbenzyl)aniline
Property Insights of N-(Alpha-allylbenzyl)aniline
The XLogP value of 4.5 indicates that N-(Alpha-allylbenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-(Alpha-allylbenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Alpha-allylbenzyl)aniline 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-(Alpha-allylbenzyl)aniline?
The CAS number of N-(Alpha-allylbenzyl)aniline is 66489-79-0.
What is the molecular formula of N-(Alpha-allylbenzyl)aniline?
The molecular formula of N-(Alpha-allylbenzyl)aniline is C16H17N.
What is the molecular weight of N-(Alpha-allylbenzyl)aniline?
The molecular weight of N-(Alpha-allylbenzyl)aniline is 223.14 g/mol.
Where can I buy N-(Alpha-allylbenzyl)aniline?
You can request a quote for N-(Alpha-allylbenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Alpha-allylbenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(Alpha-allylbenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.