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(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol - 98%, high purity , CAS No.18881-17-9

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(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol - 98%, high purity , CAS No.18881-17-9

COA

Grade & Purity:

≥98%

Cas Number: 18881-17-9
Molecular Weight: 163.22
Beilstein Registry Number: 21(5)2,346
MDL number: MFCD01631316
PubChem CID: 776757
PubChem SID: 488191464

In stock

Item Number

S101356

Grouped product items
SKU	Size	Availability	Price
S101356-250mg	250mg	5	$31.90
S101356-1g	1g	10	$95.90
S101356-5g	5g	2	$431.90

View related series

quinolines (133)

Basic Description

Synonyms	(35)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol \| (S)-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol \| (S)-1,2,3,4-tetrahydroisoquinoline-3-yl-methanol \| AC-23785 \| (S)-1,2,3,4-Tetrahydroisoquinoline-3-methanol \| Z1198159867 \| (S)-1-(1,2,3,4-Tetrahydro-isoq
Specifications & Purity	≥98%
Shipped In	Normal

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

Pubchem Sid	488191464
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191464
IUPAC Name	[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
INCHI	InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1
InChIKey	ZSKDXMLMMQFHGW-JTQLQIEISA-N
Smiles	C1C(NCC2=CC=CC=C21)CO
Isomeric SMILES	C1[C@H](NCC2=CC=CC=C21)CO
WGK Germany	3
PubChem CID	776757
Molecular Weight	163.22
Beilstein	21(5)2,346
Reaxy-Rn	1528486

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.

4 results found

Lot Number	Certificate Type	Date	Item
J1231047	Certificate of Analysis	Aug 12, 2024	S101356
F1912226	Certificate of Analysis	Apr 11, 2023	S101356
D23261141	Certificate of Analysis	Apr 11, 2023	S101356
L2212315	Certificate of Analysis	Dec 29, 2022	S101356

Chemical and Physical Properties

Specific Rotation[α]	-97 ° (C=0.2, MeOH)
Melt Point(°C)	114-116°C
Molecular Weight	163.220 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	163.1 Da
Monoisotopic Mass	163.1 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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