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1-(3-chlorophenyl)cyclobutan-1-amine hydrochloride - ≥90%, high purity , CAS No.959140-89-7

COA

Grade & Purity:

≥90%

Cas Number: 959140-89-7
Molecular Weight: 218.12
PubChem CID: 53256949

In stock

Item Number

C769038

Grouped product items
SKU	Size	Availability	Price	Qty
C769038-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$563.90
C769038-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,516.90

Basic Description

Specifications & Purity	≥90%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Organopnictogen compounds Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aralkylamine - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - 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-(3-chlorophenyl)cyclobutan-1-amine;hydrochloride
INCHI	InChI=1S/C10H12ClN.ClH/c11-9-4-1-3-8(7-9)10(12)5-2-6-10;/h1,3-4,7H,2,5-6,12H2;1H
InChIKey	CHXWZDHUSNSLLQ-UHFFFAOYSA-N
Smiles	C1CC(C1)(C2=CC(=CC=C2)Cl)N.Cl
Isomeric SMILES	C1CC(C1)(C2=CC(=CC=C2)Cl)N.Cl
PubChem CID	53256949
Molecular Weight	218.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	218.120 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	217.043 Da
Monoisotopic Mass	217.043 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	165.000
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	2

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