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7-Chloro-1,2,3,4-tetrahydroisoquinoline - 95%, high purity , CAS No.82771-60-6

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7-Chloro-1,2,3,4-tetrahydroisoquinoline - 95%, high purity , CAS No.82771-60-6

COA

Grade & Purity:

≥95%

Cas Number: 82771-60-6
Molecular Weight: 167.6
PubChem CID: 12595069
PubChem SID: 504767160

In stock

Item Number

C186797

Grouped product items
SKU	Size	Availability	Price
C186797-250mg	250mg	3	$164.90
C186797-1g	1g	3	$490.90
C186797-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,205.90

Basic Description

Synonyms	7-Chloro-1,2,3,4-tetrahydroisoquinoline \| 82771-60-6 \| 7-Chloro-1,2,3,4-tetrahydro-isoquinoline \| MFCD05861543 \| CHEMBL149023 \| ISOQUINOLINE, 7-CHLORO-1,2,3,4-TETRAHYDRO- \| SCHEMBL329775 \| AMY5104 \| DTXSID60503764 \| BLRKQLICTKRDDZ-UHFFFAOYSA-N \| BBL102366 \| BDBM50029102 \| STL556
Specifications & Purity	≥95%
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 Organoheterocyclic compounds
  - Class Tetrahydroisoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydroisoquinolines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydroisoquinolines
Alternative Parents	Aralkylamines Benzenoids Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
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

Associated Targets(Human)

PNMT Tchem Phenylethanolamine N-methyltransferase (2 Activities)

Discover Target: PNMT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504767160
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767160
IUPAC Name	7-chloro-1,2,3,4-tetrahydroisoquinoline
INCHI	InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
InChIKey	BLRKQLICTKRDDZ-UHFFFAOYSA-N
Smiles	C1CNCC2=C1C=CC(=C2)Cl
Isomeric SMILES	C1CNCC2=C1C=CC(=C2)Cl
Molecular Weight	167.6
Reaxy-Rn	1565549
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1565549&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
L2023143	Certificate of Analysis	Oct 25, 2023	C186797
L2023141	Certificate of Analysis	Oct 25, 2023	C186797
L2023142	Certificate of Analysis	Oct 09, 2023	C186797

Chemical and Physical Properties

Molecular Weight	167.630 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	167.05 Da
Monoisotopic Mass	167.05 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138.000
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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