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1-(2-Chlorophenyl)-N-methylethanamine - ≥95%, high purity , CAS No.51586-22-2

COA

Grade & Purity:

≥95%

Cas Number: 51586-22-2
Molecular Weight: 169.65
EC Number: 874-331-1
PubChem CID: 16783514

In stock

Item Number

N728879

Grouped product items
SKU	Size	Availability	Price
N728879-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$351.90
N728879-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$627.90
N728879-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,973.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aralkylamines Aryl chlorides Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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-(2-chlorophenyl)-N-methylethanamine
INCHI	InChI=1S/C9H12ClN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3
InChIKey	UEVNECVWVMFIRG-UHFFFAOYSA-N
Smiles	CC(C1=CC=CC=C1Cl)NC
Isomeric SMILES	CC(C1=CC=CC=C1Cl)NC
Alternate CAS	51586-22-2
PubChem CID	16783514
Molecular Weight	169.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	169.650 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	169.066 Da
Monoisotopic Mass	169.066 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116.000
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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