Benzenamine, N-(1-methyl-2-propynyl)-
TL;DR: Benzenamine, N-(1-methyl-2-propynyl)- (CAS 53832-62-5) 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-but-3-yn-2-ylaniline
Also Known As: N-Isobutynylaniline, 3-anilino-1-butyne, N-(but-3-yn-2-yl)aniline, N-but-3-yn-2-ylaniline, Benzenamine, N-(1-methyl-2-propynyl)-
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 53832-62-5 |
|---|---|
| SMILES | CC(C#C)NC1=CC=CC=C1 |
| InChIKey | YVHNSTSWXJRZBX-UHFFFAOYSA-N |
Product Overview
Benzenamine, N-(1-methyl-2-propynyl)- (CAS 53832-62-5), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: N-but-3-yn-2-ylaniline.
Chemical Property Profile of Benzenamine, N-(1-methyl-2-propynyl)-
Property Insights of Benzenamine, N-(1-methyl-2-propynyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N-(1-methyl-2-propynyl)-. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenamine, N-(1-methyl-2-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N-(1-methyl-2-propynyl)- 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 Benzenamine, N-(1-methyl-2-propynyl)-?
The CAS number of Benzenamine, N-(1-methyl-2-propynyl)- is 53832-62-5.
What is the molecular formula of Benzenamine, N-(1-methyl-2-propynyl)-?
The molecular formula of Benzenamine, N-(1-methyl-2-propynyl)- is C10H11N.
What is the molecular weight of Benzenamine, N-(1-methyl-2-propynyl)-?
The molecular weight of Benzenamine, N-(1-methyl-2-propynyl)- is 145.09 g/mol.
Where can I buy Benzenamine, N-(1-methyl-2-propynyl)-?
You can request a quote for Benzenamine, N-(1-methyl-2-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-(1-methyl-2-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-(1-methyl-2-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.