2,6-dimethyl-N-prop-2-ynyl-aniline
TL;DR: 2,6-dimethyl-N-prop-2-ynyl-aniline (CAS 74248-48-9) 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.
2,6-dimethyl-N-prop-2-ynylaniline
Also Known As: 2,6-dimethyl-N-prop-2-ynyl-aniline, 2,6-dimethyl-N-prop-2-ynylaniline, 2,6-dimethyl-N-(prop-2-yn-1-yl)aniline, 2,6-dimethyl-N-propargylaniline, 2,6-dimethylphenyl propargylamine
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 74248-48-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NCC#C |
| InChIKey | ISACQIQEYNRYHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-dimethyl-N-prop-2-ynyl-aniline (CAS 74248-48-9), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 2,6-dimethyl-N-prop-2-ynylaniline.
Chemical Property Profile of 2,6-dimethyl-N-prop-2-ynyl-aniline
Property Insights of 2,6-dimethyl-N-prop-2-ynyl-aniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-dimethyl-N-prop-2-ynyl-aniline. With a topological polar surface area (TPSA) of 12.0 Ų, 2,6-dimethyl-N-prop-2-ynyl-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-dimethyl-N-prop-2-ynyl-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 2,6-dimethyl-N-prop-2-ynyl-aniline?
The CAS number of 2,6-dimethyl-N-prop-2-ynyl-aniline is 74248-48-9.
What is the molecular formula of 2,6-dimethyl-N-prop-2-ynyl-aniline?
The molecular formula of 2,6-dimethyl-N-prop-2-ynyl-aniline is C11H13N.
What is the molecular weight of 2,6-dimethyl-N-prop-2-ynyl-aniline?
The molecular weight of 2,6-dimethyl-N-prop-2-ynyl-aniline is 159.10 g/mol.
Where can I buy 2,6-dimethyl-N-prop-2-ynyl-aniline?
You can request a quote for 2,6-dimethyl-N-prop-2-ynyl-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-dimethyl-N-prop-2-ynyl-aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dimethyl-N-prop-2-ynyl-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.