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1-pyrimidin-2-ylcyclopropanecarbonitrile - 97%, high purity , CAS No.1378798-49-2

COA

Grade & Purity:

≥97%

Cas Number: 1378798-49-2
Molecular Weight: 145.16
PubChem CID: 89853600

In stock

Item Number

P628742

Grouped product items
SKU	Size	Availability	Price
P628742-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$190.90
P628742-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$305.90
P628742-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$508.90
P628742-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$762.90
P628742-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,816.90

Basic Description

Synonyms	1378798-49-2 \| 1-(pyrimidin-2-yl)cyclopropane-1-carbonitrile \| 1-(Pyrimidin-2-yl)cyclopropanecarbonitrile \| 1-pyrimidin-2-ylcyclopropanecarbonitrile \| 1-pyrimidin-2-ylcyclopropane-1-carbonitrile \| starbld0036987 \| SCHEMBL15321829 \| MFCD16251030 \| PB40476
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidines and pyrimidine derivatives
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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	1-pyrimidin-2-ylcyclopropane-1-carbonitrile
INCHI	InChI=1S/C8H7N3/c9-6-8(2-3-8)7-10-4-1-5-11-7/h1,4-5H,2-3H2
InChIKey	BOQVIWFKURNABY-UHFFFAOYSA-N
Smiles	C1CC1(C#N)C2=NC=CC=N2
Isomeric SMILES	C1CC1(C#N)C2=NC=CC=N2
PubChem CID	89853600
Molecular Weight	145.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	145.160 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	145.064 Da
Monoisotopic Mass	145.064 Da
Topological Polar Surface Area	49.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	193.000
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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