N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide
TL;DR: N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide (CAS 4167-58-2) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide
Also Known As: Fluoxetine Impurity 47, 2-Hydroxy-2-phenylethylmethylnitrosamine, 2-[methyl(nitroso)amino]-1-phenylethanol, N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide, Benzenemethanol, alpha-((methylnitrosoamino)methyl)-
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 4167-58-2 |
|---|---|
| SMILES | CN(CC(C1=CC=CC=C1)O)N=O |
| InChIKey | DVQKLVCSCYPICN-UHFFFAOYSA-N |
Product Overview
N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide (CAS 4167-58-2), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide.
Chemical Property Profile of N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide
Property Insights of N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide has 1 hydrogen bond donor(s) and 4 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-hydroxy-2-phenylethyl)-N-methylnitrous amide?
The CAS number of N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide is 4167-58-2.
What is the molecular formula of N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide?
The molecular formula of N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide is C9H12N2O2.
What is the molecular weight of N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide?
The molecular weight of N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide is 180.09 g/mol.
Where can I buy N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide?
You can request a quote for N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.