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6-Chloro-N，N-diisopropylnicotinamide - ≥95%, high purity , CAS No.905273-87-2

COA

Grade & Purity:

≥95%

Cas Number: 905273-87-2
Molecular Weight: 240.73
PubChem CID: 57753656

In stock

Item Number

C692910

Grouped product items
SKU	Size	Availability	Price
C692910-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
C692910-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
C692910-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives
      - Level5 Pyridinecarboxamides
        Level6 Nicotinamides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Pyridinecarboxamides
Direct Parent	Nicotinamides
Alternative Parents	2-halopyridines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nicotinamide - 2-halopyridine - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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	6-chloro-N,N-di(propan-2-yl)pyridine-3-carboxamide
INCHI	InChI=1S/C12H17ClN2O/c1-8(2)15(9(3)4)12(16)10-5-6-11(13)14-7-10/h5-9H,1-4H3
InChIKey	SSIUKIOVKUQYGZ-UHFFFAOYSA-N
Smiles	CC(C)N(C(C)C)C(=O)C1=CN=C(C=C1)Cl
Isomeric SMILES	CC(C)N(C(C)C)C(=O)C1=CN=C(C=C1)Cl
PubChem CID	57753656
Molecular Weight	240.73

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.730 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	240.103 Da
Monoisotopic Mass	240.103 Da
Topological Polar Surface Area	33.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	235.000
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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