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rac N'-Nitrosonornicotine - ≥95%, high purity , CAS No.80508-23-2

COA

Grade & Purity:

≥95%

Cas Number: 80508-23-2
Molecular Weight: 177.2
PubChem CID: 27919

In stock

Item Number

R769941

Grouped product items
SKU	Size	Availability	Price	Qty
R769941-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$520.90
R769941-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,386.90

View related series

Metabolite (5307)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyrrolidinylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyrrolidinylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidinylpyridines
Alternative Parents	Pyrrolidines Heteroaromatic compounds Organic N-nitroso compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrolidinylpyridine - Heteroaromatic compound - Pyrrolidine - Organic n-nitroso compound - Organic nitroso compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidinylpyridines. These are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring.
External Descriptors	pyrrolidines - pyridines
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-(1-nitrosopyrrolidin-2-yl)pyridine
INCHI	InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2
InChIKey	XKABJYQDMJTNGQ-UHFFFAOYSA-N
Smiles	C1CC(N(C1)N=O)C2=CN=CC=C2
Isomeric SMILES	C1CC(N(C1)N=O)C2=CN=CC=C2
PubChem CID	27919
Molecular Weight	177.2

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.200 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	177.09 Da
Monoisotopic Mass	177.09 Da
Topological Polar Surface Area	45.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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