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N-Nitroso-Atenolol

CAT: 1459-CS-O-38043Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Nitroso-Atenolol is listed under Nitrosamine and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Atenolol. The product is supplied by Clearsynth under CAT No. CS-O-38043. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
134720-04-0
Synonyms
N-Nitroso-Atenolol
Molecular Formula
C 14 H 21 N 3 O 4
Molecular Weight
295.33
Additionnal Information
N-Nitroso-Atenolol is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso-Atenolol can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Atenolol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

N-nitroso-atenolol
CAS Number134720-04-0
PubChem CID154448
IUPAC Name2-[4-[2-hydroxy-3-[nitroso(propan-2-yl)amino]propoxy]phenyl]acetamide
Molecular FormulaC14H21N3O4
Molecular Weight295.33
XLogP0.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity330
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)CC(=O)N)O)N=O
InChI
InChI=1S/C14H21N3O4/c1-10(2)17(16-20)8-12(18)9-21-13-5-3-11(4-6-13)7-14(15)19/h3-6,10,12,18H,7-9H2,1-2H3,(H2,15,19)
InChIKey
BLORPAGHSJJNFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-nitroso-atenolol
CAS: 134720-04-0
CID: 154448
Formula: C14H21N3O4
MW: 295.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.33
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass295.15320616
Monoisotopic Mass295.15320616
Topological Polar Surface Area105 Ų
Heavy Atom Count21
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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