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4-(Pyrrolidin-1-yl)picolinonitrile - ≥98%, high purity , CAS No.127680-86-8

COA

Grade & Purity:

≥98%

Cas Number: 127680-86-8
Molecular Weight: 173.21
PubChem CID: 14640847

In stock

Item Number

P728019

Grouped product items
SKU	Size	Availability	Price
P728019-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
P728019-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$343.90
P728019-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,029.90
P728019-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,673.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Dialkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Dialkylarylamines
Alternative Parents	Aminopyridines and derivatives Pyrrolidines Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Aminopyridine - Pyridine - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
External Descriptors	Not available
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	4-pyrrolidin-1-ylpyridine-2-carbonitrile
INCHI	InChI=1S/C10H11N3/c11-8-9-7-10(3-4-12-9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKey	WHINRMKPWMUVEJ-UHFFFAOYSA-N
Smiles	C1CCN(C1)C2=CC(=NC=C2)C#N
Isomeric SMILES	C1CCN(C1)C2=CC(=NC=C2)C#N
PubChem CID	14640847
Molecular Weight	173.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	173.210 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	173.095 Da
Monoisotopic Mass	173.095 Da
Topological Polar Surface Area	39.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	211.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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