N-Nitrosoatenolol

Base Information

• Chemical Name: N-Nitrosoatenolol
• CAS No.: 134720-04-0
• Molecular Formula: C14H21N3O4
• Molecular Weight: 295.3342
• DSSTox Substance ID: DTXSID70928722
• Nikkaji Number: J393.490J
• Mol file: 134720-04-0.mol

Synonyms:N-Nitrosoatenolol;134720-04-0;2-[4-[2-hydroxy-3-[nitroso(propan-2-yl)amino]propoxy]phenyl]acetamide;2-[4-[2-hydroxy-3-(nitroso-propan-2-yl-amino)propoxy]phenyl]acetamide;CCRIS 4197;BRN 4877816;N-Nitroso Atenolol;4-(2-Hydroxy-3-((1-methylethyl)nitrosoamino)propoxy)benzeneacetamide;Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)nitrosoamino)propoxy)-;DTXSID70928722;benzeneacetamide,4-(2-hydroxy-3-((1-methylethyl)nitrosoamino)propoxy)-;2-(4-{2-Hydroxy-3-[nitroso(propan-2-yl)amino]propoxy}phenyl)ethanimidic acid

Chemical Property of N-Nitrosoatenolol

Chemical Property:

• Vapor Pressure: 4.85E-15mmHg at 25°C
• Boiling Point: 595.8°Cat760mmHg
• Flash Point: 314.1°C
• PSA: 106.21000
• Density: 1.23g/cm³
• LogP: 1.99560
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 295.15320616
• Heavy Atom Count: 21
• Complexity: 330

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=C(C=C1)CC(=O)N)O)N=O
• Uses: N-Nitrosoatenolol is an N-nitroso derivative of Atenolol (A790075), which is a cardioselective β-adrenergic blocker. Antihypertensive, antianginal, antiarrhythmic (class II). N-Nitrosoatenolol can be used for its genotoxic effect in rat and human hepatocytes.

Technology Process of N-Nitrosoatenolol

There total 1 articles about N-Nitrosoatenolol 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: 86.0%

Atenolol hydrochloride (51706-40-2) → N-nitrosoatenolol (134720-04-0)

Guidance literature:

With hydrogenchloride; sodium nitrite; at 50 ℃; for 6h;

upstream raw materials:

Atenolol hydrochloride