N-methyl-N-(prop-2-yn-1-yl)aniline
TL;DR: N-methyl-N-(prop-2-yn-1-yl)aniline (CAS 4282-82-0) 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-2-ynylaniline
Also Known As: N-methyl-N-(prop-2-yn-1-yl)aniline, Benzenamine, N-methyl-N-2-propynyl-, N-methyl-N-prop-2-ynylaniline, methylphenylpropargylamine, N-methyl-N-propargylaniline
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.2 |
| 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 | 148.0 |
Chemical Identifiers
| CAS Number | 4282-82-0 |
|---|---|
| SMILES | CN(CC#C)C1=CC=CC=C1 |
| InChIKey | SSRKOCVLSMLKKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-N-(prop-2-yn-1-yl)aniline (CAS 4282-82-0), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: N-methyl-N-prop-2-ynylaniline.
Chemical Property Profile of N-methyl-N-(prop-2-yn-1-yl)aniline
Property Insights of N-methyl-N-(prop-2-yn-1-yl)aniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N-(prop-2-yn-1-yl)aniline. With a topological polar surface area (TPSA) of 3.2 Ų, N-methyl-N-(prop-2-yn-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N-(prop-2-yn-1-yl)aniline 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-2-yn-1-yl)aniline?
The CAS number of N-methyl-N-(prop-2-yn-1-yl)aniline is 4282-82-0.
What is the molecular formula of N-methyl-N-(prop-2-yn-1-yl)aniline?
The molecular formula of N-methyl-N-(prop-2-yn-1-yl)aniline is C10H11N.
What is the molecular weight of N-methyl-N-(prop-2-yn-1-yl)aniline?
The molecular weight of N-methyl-N-(prop-2-yn-1-yl)aniline is 145.09 g/mol.
Where can I buy N-methyl-N-(prop-2-yn-1-yl)aniline?
You can request a quote for N-methyl-N-(prop-2-yn-1-yl)aniline 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-2-yn-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N-(prop-2-yn-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.