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5,6,7,8-Tetrahydroisoquinoline - ≥98.0%, high purity , CAS No.36556-06-6

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5,6,7,8-Tetrahydroisoquinoline - ≥98.0%, high purity , CAS No.36556-06-6

COA

Grade & Purity:

≥98%

Cas Number: 36556-06-6
Molecular Weight: 133.19
Beilstein Registry Number: 20(3/4)2948
MDL number: MFCD00012168
PubChem CID: 119010
PubChem SID: 504756801

In stock

Item Number

T162590

Grouped product items
SKU	Size	Availability	Price
T162590-5ml	5ml	5	$32.90
T162590-25ml	25ml	1	$124.90
T162590-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$448.90

View related series

Pyridines (1259) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	MFCD00012168 \| InChI=1/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H \| SCHEMBL28211 \| Z104492180 \| Q63408733 \| BDBM50369456 \| T1230 \| EN300-21119 \| SB36851 \| SY029025 \| AKOS000121445 \| 5,6,7,8-Tetrahydroisoquinoline, 95% \| FT-0649653 \| EINECS 253-098-4 \| AM
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyridines and derivatives
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

Discover Target: SIGMAR1

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

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	504756801
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756801
IUPAC Name	5,6,7,8-tetrahydroisoquinoline
INCHI	InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2
InChIKey	HTMGQIXFZMZZKD-UHFFFAOYSA-N
Smiles	C1CCC2=C(C1)C=CN=C2
Isomeric SMILES	C1CCC2=C(C1)C=CN=C2
WGK Germany	3
PubChem CID	119010
Molecular Weight	133.19
Beilstein	20(3/4)2948
Reaxy-Rn	116144

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
F1721093	Certificate of Analysis	Jan 08, 2025	T162590
L2015083	Certificate of Analysis	Oct 22, 2024	T162590
K2230150	Certificate of Analysis	Dec 08, 2022	T162590

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.54
Flash Point(°F)	212 °F
Flash Point(°C)	100 °C
Boil Point(°C)	81 °C/1 mmHg
Molecular Weight	133.190 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	133.089 Da
Monoisotopic Mass	133.089 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	111.000
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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