N-Nitrosooxprenolol

Base Information

• Chemical Name: N-Nitrosooxprenolol
• CAS No.: 96497-86-8
• Molecular Formula: C15H22 N2 O4
• Molecular Weight: 294.35
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID30914489
• Nikkaji Number: J393.494B
• Mol file: 96497-86-8.mol

Synonyms:1-((1-methylethyl)nitrosoamino)-3-(2-(2-propenyloxy)phenoxy)-2-propanol;N-nitrosooxprenolol;NO-oxprenolol

Chemical Property of N-Nitrosooxprenolol

Chemical Property:

• Vapor Pressure: 3.71E-10mmHg at 25°C
• Boiling Point: 483.4°Cat760mmHg
• Flash Point: 246.2°C
• PSA: 71.36000
• Density: 1.1g/cm³
• LogP: 2.38290
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 294.15795719
• Heavy Atom Count: 21
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CC(COC1=CC=CC=C1OCC=C)O)N=O
• Uses: N-Nitrosooxprenolol is an N-nitroso of Oxprenolol(O871500), which is a free base of Oxprenolol Hydrochloride(O870500) which is a β-Adrenergic blocker. Antihypertensive, antianginal, antiarrhythmic. N-Nitrosooxprenolol can be used to assess the genotoxicity in rat and human hepatocytes.

Technology Process of N-Nitrosooxprenolol

There total 1 articles about N-Nitrosooxprenolol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

oxprenolol hydrochloride (6452-73-9,29208-41-1) → N-nitrosooxprenolol (96497-86-8)

Guidance literature:

With hydrogenchloride; sodium nitrite; at 50 ℃; for 4h;

upstream raw materials:

oxprenolol hydrochloride

Refernces