N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide
TL;DR: N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide (CAS 72877-62-4) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide
Also Known As: 3-Pyridine-N-oxide-t-butylnitrone, 2-Methyl-N-(3-pyridinylmethylene)-2-propanamine N,N'-dioxide, (E)-oxido-[(1-oxidopyridin-5-yl)methylidene]-tert-butyl-azanium, 2-Propanamine, 2-methyl-N-(3-pyridinylmethylene)-, N,N'-dioxide
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 54.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 72877-62-4 |
|---|---|
| SMILES | CC(C)(C)[N+](=CC1=C[N+](=CC=C1)[O-])[O-] |
| InChIKey | NNWLXUYFIYCAIH-UHFFFAOYSA-N |
Product Overview
N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide (CAS 72877-62-4), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide.
Chemical Property Profile of N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide
Property Insights of N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide
The XLogP value of -0.2 indicates that N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.2 Ų, N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide has 0 hydrogen bond donor(s) and 2 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-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide?
The CAS number of N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide is 72877-62-4.
What is the molecular formula of N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide?
The molecular formula of N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide is C10H14N2O2.
What is the molecular weight of N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide?
The molecular weight of N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide is 194.11 g/mol.
Where can I buy N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide?
You can request a quote for N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-1-(1-oxidopyridin-1-ium-3-yl)methanimine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.