N-buta-1,3-dienyl-N-methylaniline
TL;DR: N-buta-1,3-dienyl-N-methylaniline (CAS 412275-27-5) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-buta-1,3-dienyl-N-methylaniline
Also Known As: N-buta-1,3-dienyl-N-methylaniline, Benzenamine,N-1,3-butadien-1-yl-N-methyl-, Benzenamine,N-1,3-butadienyl-N-methyl-(9CI), Benzenamine, N-1,3-butadienyl-N-methyl- (9CI), N-(BUTA-1,3-DIEN-1-YL)-N-METHYLANILINE
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 412275-27-5 |
|---|---|
| SMILES | CN(C=CC=C)C1=CC=CC=C1 |
| InChIKey | SFFZHSLIAJLTOU-UHFFFAOYSA-N |
Product Overview
N-buta-1,3-dienyl-N-methylaniline (CAS 412275-27-5), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: N-buta-1,3-dienyl-N-methylaniline.
Chemical Property Profile of N-buta-1,3-dienyl-N-methylaniline
Property Insights of N-buta-1,3-dienyl-N-methylaniline
The XLogP value of 3.2 indicates that N-buta-1,3-dienyl-N-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N-buta-1,3-dienyl-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-buta-1,3-dienyl-N-methylaniline has 0 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-buta-1,3-dienyl-N-methylaniline?
The CAS number of N-buta-1,3-dienyl-N-methylaniline is 412275-27-5.
What is the molecular formula of N-buta-1,3-dienyl-N-methylaniline?
The molecular formula of N-buta-1,3-dienyl-N-methylaniline is C11H13N.
What is the molecular weight of N-buta-1,3-dienyl-N-methylaniline?
The molecular weight of N-buta-1,3-dienyl-N-methylaniline is 159.10 g/mol.
Where can I buy N-buta-1,3-dienyl-N-methylaniline?
You can request a quote for N-buta-1,3-dienyl-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-buta-1,3-dienyl-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-buta-1,3-dienyl-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.