Skip to the beginning of the images gallery

(7-Bromo-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol , CAS No.356780-61-5

COA

Cas Number: 356780-61-5
Molecular Weight: 242.11
PubChem CID: 44287195

In stock

Item Number

B669252

Grouped product items
SKU	Size	Availability	Price	Qty
B669252-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
B669252-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	(7-Bromo-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol \| (7-Bromo-1,2,3,4-tetrahydro-isoquinolin-3-yl)-methanol \| 3-Isoquinolinemethanol, 7-bromo-1,2,3,4-tetrahydro- \| 7-BROMO-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINEMETHANOL \| SXNOASUKXWYZMT-UHFFFAOYSA-N \| BDBM501

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 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydroisoquinoline - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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 (1 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

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	(7-bromo-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
INCHI	InChI=1S/C10H12BrNO/c11-9-2-1-7-4-10(6-13)12-5-8(7)3-9/h1-3,10,12-13H,4-6H2
InChIKey	SXNOASUKXWYZMT-UHFFFAOYSA-N
Smiles	C1C(NCC2=C1C=CC(=C2)Br)CO
Isomeric SMILES	C1C(NCC2=C1C=CC(=C2)Br)CO
PubChem CID	44287195
Molecular Weight	242.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.110 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	241.01 Da
Monoisotopic Mass	241.01 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration