N-methyl-N-prop-1-yn-1-ylaniline
TL;DR: N-methyl-N-prop-1-yn-1-ylaniline (CAS 4231-29-2) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-prop-1-ynylaniline
Also Known As: N-methyl-N-prop-1-ynylaniline, N-methyl-N-prop-1-yn-1-ylaniline, benzenamine, N-methyl-N-1-propynyl-, N-methyl-N-(prop-2-yn-1-yl)aniline, InChI=1/C10H11N/c1-3-9-11(2)10-7-5-4-6-8-10/h4-8H,1-2H
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 4231-29-2 |
|---|---|
| SMILES | CC#CN(C)C1=CC=CC=C1 |
| InChIKey | MKHNAXCOTSCTCM-UHFFFAOYSA-N |
Product Overview
N-methyl-N-prop-1-yn-1-ylaniline (CAS 4231-29-2), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: N-methyl-N-prop-1-ynylaniline.
Chemical Property Profile of N-methyl-N-prop-1-yn-1-ylaniline
Property Insights of N-methyl-N-prop-1-yn-1-ylaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N-prop-1-yn-1-ylaniline. With a topological polar surface area (TPSA) of 3.2 Ų, N-methyl-N-prop-1-yn-1-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N-prop-1-yn-1-ylaniline 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-methyl-N-prop-1-yn-1-ylaniline?
The CAS number of N-methyl-N-prop-1-yn-1-ylaniline is 4231-29-2.
What is the molecular formula of N-methyl-N-prop-1-yn-1-ylaniline?
The molecular formula of N-methyl-N-prop-1-yn-1-ylaniline is C10H11N.
What is the molecular weight of N-methyl-N-prop-1-yn-1-ylaniline?
The molecular weight of N-methyl-N-prop-1-yn-1-ylaniline is 145.09 g/mol.
Where can I buy N-methyl-N-prop-1-yn-1-ylaniline?
You can request a quote for N-methyl-N-prop-1-yn-1-ylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-N-prop-1-yn-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N-prop-1-yn-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.