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(6-Chloro-pyridin-3-ylmethyl)-isopropyl-amine - ≥97%, high purity , CAS No.120739-83-5

COA

Grade & Purity:

≥97%

Cas Number: 120739-83-5
Molecular Weight: 184.66
PubChem CID: 22450357

In stock

Item Number

I730721

Grouped product items
SKU	Size	Availability	Price	Qty
I730721-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,460.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	2-halopyridines
Alternative Parents	Aralkylamines Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyridine - Aralkylamine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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	N-[(6-chloropyridin-3-yl)methyl]propan-2-amine
INCHI	InChI=1S/C9H13ClN2/c1-7(2)11-5-8-3-4-9(10)12-6-8/h3-4,6-7,11H,5H2,1-2H3
InChIKey	QSMVDXUPASWJKH-UHFFFAOYSA-N
Smiles	CC(C)NCC1=CN=C(C=C1)Cl
Isomeric SMILES	CC(C)NCC1=CN=C(C=C1)Cl
PubChem CID	22450357
Molecular Weight	184.66

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	184.660 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	184.077 Da
Monoisotopic Mass	184.077 Da
Topological Polar Surface Area	24.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	128.000
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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(6-Chloro-pyridin-3-ylmethyl)-isopropyl-amine - ≥97%, high purity , CAS No.120739-83-5

Basic Description