Nicotine iminium
TL;DR: Nicotine iminium (CAS 42459-13-2) is a chemical compound with molecular formula C10H13N2+ and molecular weight 161.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine
Also Known As: nicotine iminium, nicotine imine, 11C-nicotine imine, nicotine-Delta1'5'-iminium ion, Nicotine-delta 1' (5') Iminium Ion
| Molecular Formula | C10H13N2+ |
|---|---|
| Molecular Weight | 161.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 15.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.10788 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 42459-13-2 |
|---|---|
| SMILES | C[N+]1=CCC[C@H]1C2=CN=CC=C2 |
| InChIKey | GTQXYYYOJZZJHL-JTQLQIEISA-N |
Product Overview
Nicotine iminium (CAS 42459-13-2), with molecular formula C10H13N2+ and molecular weight 161.11 g/mol. IUPAC: 3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine.
Chemical Property Profile of Nicotine iminium
Property Insights of Nicotine iminium
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotine iminium. With a topological polar surface area (TPSA) of 15.9 Ų, Nicotine iminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotine iminium 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 Nicotine iminium?
The CAS number of Nicotine iminium is 42459-13-2.
What is the molecular formula of Nicotine iminium?
The molecular formula of Nicotine iminium is C10H13N2+.
What is the molecular weight of Nicotine iminium?
The molecular weight of Nicotine iminium is 161.11 g/mol.
Where can I buy Nicotine iminium?
You can request a quote for Nicotine iminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotine iminium?
Yes, KEHONG BIO provides custom synthesis services for Nicotine iminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.