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Isoquinolin-3-ylmethanol - 98%, high purity , CAS No.76884-34-9

COA

Grade & Purity:

≥98%

Cas Number: 76884-34-9
Molecular Weight: 159.2
PubChem CID: 12874869

In stock

Item Number

I186516

Grouped product items
SKU	Size	Availability	Price
I186516-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$53.90
I186516-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90
I186516-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$406.90

Discover Isoquinolin-3-ylmethanol by Aladdin Scientific in 98% for only $53.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	isoquinolin-3-ylmethanol \| 76884-34-9 \| 3-Isoquinolinemethanol \| (isoquinolin-3-yl)methanol \| 3-Isoquinolylmethanol \| MFCD01859798 \| isoquinolin-3-yl methanol \| Isoquinolin-3-yl-methanol \| 3-Hydroxymethylisoquinoline \| 3-(hydroxymethyl)isoquinoline \| SCHEMBL1999306 \| AMY1762 \| D
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolines and derivatives
Alternative Parents	Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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	isoquinolin-3-ylmethanol
INCHI	InChI=1S/C10H9NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-6,12H,7H2
InChIKey	CMGQQHGOFWZGJH-UHFFFAOYSA-N
Smiles	C1=CC=C2C=NC(=CC2=C1)CO
Isomeric SMILES	C1=CC=C2C=NC(=CC2=C1)CO
Molecular Weight	159.2
Reaxy-Rn	114912
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114912&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	159.180 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	159.068 Da
Monoisotopic Mass	159.068 Da
Topological Polar Surface Area	33.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149.000
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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