![N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline structure](/static/products/4648/464876-68-4.webp)
N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline
TL;DR: N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline (CAS 464876-68-4) is a chemical compound with molecular formula C13H17N2+ and molecular weight 201.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline
Also Known As: Benzhydryldimethylsulfonium, J3.642.523G, 2-(1-Methylpyrrolidin-2-ylidene)-N-phenylethan-1-iminium, 5-[(E)-2-Anilinovinyl]-1-methyl-3,4-dihydro-2H-pyrrole-1-ium, N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline
| Molecular Formula | C13H17N2+ |
|---|---|
| Molecular Weight | 201.14 g/mol |
| LogP | 2.4893 |
| Topological Polar Surface Area | 15.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.13918 |
| Heavy Atoms | 15 |
| Complexity | 376.78226 |
Chemical Identifiers
| CAS Number | 464876-68-4 |
|---|---|
| SMILES | C[N+]1=C(CCC1)C=CNC2=CC=CC=C2 |
Product Overview
N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline (CAS 464876-68-4), with molecular formula C13H17N2+ and molecular weight 201.14 g/mol. IUPAC: N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline.
Chemical Property Profile of N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline
Property Insights of N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline
The XLogP value of 2.4893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline. With a topological polar surface area (TPSA) of 15.04 Ų, N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]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-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline?
The CAS number of N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline is 464876-68-4.
What is the molecular formula of N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline?
The molecular formula of N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline is C13H17N2+.
What is the molecular weight of N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline?
The molecular weight of N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline is 201.14 g/mol.
Where can I buy N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline?
You can request a quote for N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]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-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.