N-(2-Methylbut-3-yn-2-yl)aniline
TL;DR: N-(2-Methylbut-3-yn-2-yl)aniline (CAS 7471-09-2) 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-(2-methylbut-3-yn-2-yl)aniline
Also Known As: -phenyl-amine, N-(2-methylbut-3-yn-2-yl)aniline, 3-methyl-3-phenylamino-1-butyne, N-(2-Methyl-3-butyn-2-yl)aniline, N-(1,1-Dimethyl-2-propynyl)aniline
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 7471-09-2 |
|---|---|
| SMILES | CC(C)(C#C)NC1=CC=CC=C1 |
| InChIKey | REHYMUARMNSKGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Methylbut-3-yn-2-yl)aniline (CAS 7471-09-2), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: N-(2-methylbut-3-yn-2-yl)aniline.
Chemical Property Profile of N-(2-Methylbut-3-yn-2-yl)aniline
Property Insights of N-(2-Methylbut-3-yn-2-yl)aniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Methylbut-3-yn-2-yl)aniline. With a topological polar surface area (TPSA) of 12.0 Ų, N-(2-Methylbut-3-yn-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Methylbut-3-yn-2-yl)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 N-(2-Methylbut-3-yn-2-yl)aniline?
The CAS number of N-(2-Methylbut-3-yn-2-yl)aniline is 7471-09-2.
What is the molecular formula of N-(2-Methylbut-3-yn-2-yl)aniline?
The molecular formula of N-(2-Methylbut-3-yn-2-yl)aniline is C11H13N.
What is the molecular weight of N-(2-Methylbut-3-yn-2-yl)aniline?
The molecular weight of N-(2-Methylbut-3-yn-2-yl)aniline is 159.10 g/mol.
Where can I buy N-(2-Methylbut-3-yn-2-yl)aniline?
You can request a quote for N-(2-Methylbut-3-yn-2-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-(2-Methylbut-3-yn-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methylbut-3-yn-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.