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6-bromo-4-methyl-1,2,3,4-tetrahydroisoquinoline - 97%, high purity , CAS No.1710696-27-7

COA

Grade & Purity:

≥97%

Cas Number: 1710696-27-7
EC Number: 826-374-2
PubChem CID: 76848707

In stock

Item Number

B630257

Grouped product items
SKU	Size	Availability	Price
B630257-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
B630257-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
B630257-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
B630257-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	MFCD27579054 \| P20023 \| PB41220 \| AS-84605 \| 1710696-27-7 \| 6-bromo-4-methyl-1,2,3,4-tetrahydroisoquinoline \| SY262273
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
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 bromides Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Aryl halide - Aryl bromide - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - 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

Names and Identifiers

IUPAC Name	6-bromo-4-methyl-1,2,3,4-tetrahydroisoquinoline
INCHI	InChI=1S/C10H12BrN/c1-7-5-12-6-8-2-3-9(11)4-10(7)8/h2-4,7,12H,5-6H2,1H3
InChIKey	NGKXMSWDWPWIML-UHFFFAOYSA-N
Smiles	CC1CNCC2=C1C=C(C=C2)Br
Isomeric SMILES	CC1CNCC2=C1C=C(C=C2)Br
Alternate CAS	1710696-27-7
PubChem CID	76848707

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	226.110 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	225.015 Da
Monoisotopic Mass	225.015 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160.000
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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