Methylallylanilin
TL;DR: Methylallylanilin (CAS 6246-96-4) is a chemical compound with molecular formula C10H13N and molecular weight 147.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-but-2-enylaniline
Also Known As: Methylallylanilin, N-but-2-enylaniline, N-[(E)-but-2-enyl]aniline
| Molecular Formula | C10H13N |
|---|---|
| Molecular Weight | 147.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.1048 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 6246-96-4 |
|---|---|
| SMILES | CC=CCNC1=CC=CC=C1 |
| InChIKey | OBMBFSOIBAWLEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylallylanilin (CAS 6246-96-4), with molecular formula C10H13N and molecular weight 147.10 g/mol. IUPAC: N-but-2-enylaniline.
Chemical Property Profile of Methylallylanilin
Property Insights of Methylallylanilin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylallylanilin. With a topological polar surface area (TPSA) of 12.0 Ų, Methylallylanilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylallylanilin 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 Methylallylanilin?
The CAS number of Methylallylanilin is 6246-96-4.
What is the molecular formula of Methylallylanilin?
The molecular formula of Methylallylanilin is C10H13N.
What is the molecular weight of Methylallylanilin?
The molecular weight of Methylallylanilin is 147.10 g/mol.
Where can I buy Methylallylanilin?
You can request a quote for Methylallylanilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylallylanilin?
Yes, KEHONG BIO provides custom synthesis services for Methylallylanilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.