Benzenamine, N-3-butynyl-N-methyl-
TL;DR: Benzenamine, N-3-butynyl-N-methyl- (CAS 137273-33-7) 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-but-3-ynyl-N-methylaniline
Also Known As: N-but-3-ynyl-N-methylaniline, Benzenamine, N-3-butynyl-N-methyl-, N-(but-3-yn-1-yl)-N-methylaniline, N-but-3-ynyl-N-methyl-aniline, Benzenamine, N-3-butyn-1-yl-N-methyl-
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.1461 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 258.08264 |
Chemical Identifiers
| CAS Number | 137273-33-7 |
|---|---|
| SMILES | CN(CCC#C)C1=CC=CC=C1 |
Product Overview
Benzenamine, N-3-butynyl-N-methyl- (CAS 137273-33-7), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: N-but-3-ynyl-N-methylaniline.
Chemical Property Profile of Benzenamine, N-3-butynyl-N-methyl-
Property Insights of Benzenamine, N-3-butynyl-N-methyl-
The XLogP value of 2.1461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, N-3-butynyl-N-methyl-. With a topological polar surface area (TPSA) of 3.24 Ų, Benzenamine, N-3-butynyl-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N-3-butynyl-N-methyl- 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 Benzenamine, N-3-butynyl-N-methyl-?
The CAS number of Benzenamine, N-3-butynyl-N-methyl- is 137273-33-7.
What is the molecular formula of Benzenamine, N-3-butynyl-N-methyl-?
The molecular formula of Benzenamine, N-3-butynyl-N-methyl- is C11H13N.
What is the molecular weight of Benzenamine, N-3-butynyl-N-methyl-?
The molecular weight of Benzenamine, N-3-butynyl-N-methyl- is 159.10 g/mol.
Where can I buy Benzenamine, N-3-butynyl-N-methyl-?
You can request a quote for Benzenamine, N-3-butynyl-N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-3-butynyl-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-3-butynyl-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.