Isoquinoline N-oxide - CAS 1532-72-5

Catalog:	BB010873
Product Name:	Isoquinoline N-oxide
CAS:	1532-72-5
Synonyms:	2-oxidoisoquinolin-2-ium

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-oxidoisoquinolin-2-ium
Description:	Isoquinoline n-oxide an isoquinoline metabolite.
Molecular Weight:	145.16
Molecular Formula:	C9H7NO
Canonical SMILES:	C1=CC=C2C=[N+](C=CC2=C1)[O-]
InChI:	InChI=1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChI Key:	RZIAABRFQASVSW-UHFFFAOYSA-N
Boiling Point:	170 °C / 3 mmHg
Density:	1.13 g/cm³
MDL:	MFCD00006903
LogP:	2.26830

Publication Number	Title	Priority Date
CN-112574107-A	Synthesis method of atropisomeric 1-arylisoquinoline N-oxide and derivatives thereof	20201218
WO-2021202914-A1	Separation of rare earth elements	20200402
WO-2021138298-A1	Malt1 modulators and uses thereof	20191230
WO-2021115432-A1	Novel quinazoline-containing compound, and intermediate thereof and use thereof	20191211
CN-110256342-A	A kind of synthetic method of 2- cyano-quinoline derivatives	20190716

PMID	Publication Date	Title	Journal
22274290	20120501	Generation of diverse 1-imidazolylisoquinolines via silver triflate-catalyzed reaction of 2-alkynylbenzaldoxime with imidazole	Molecular diversity
22180132	20120206	Nickel-catalyzed cyclization of ortho-iodoketoximes and ortho-iodoketimines with alkynes: synthesis of highly substituted isoquinolines and isoquinolinium salts	Chemistry, an Asian journal
18341275	20080416	On the mechanism of asymmetric allylation of aldehydes with allyltrichlorosilanes catalyzed by QUINOX, a chiral isoquinoline N-oxide	Journal of the American Chemical Society
15857133	20050505	Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk)	Journal of medicinal chemistry
15047355	20040401	The oxidation of fullerene[C60] with various amine N-oxides under ultrasonic irradiation	Ultrasonics

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride

Customers Also Viewed

[4294-16-0]
N6-Benzyl Adenosine
[3886-90-6]
N,N-dimethyloctadecanamide
[1643-20-5]
N,N-dimethyldodecan-1-amine oxide
[1070-68-4]
Heptanoicacid, 5-methyl-
[144222-34-4]
(1R,2R)-(-)-N-p-Tosyl-1,2-diphenylethylenediamine
[5518-18-3]
N-[2-(hexadecanoylamino)ethyl]hexadecanamide

INDUSTRY LEADERS TRUST OUR PRODUCTS

Phone

US & Canada (Toll free):

UK:

International:

E-mail & Fax

E-mail:

Fax:

Address

USA:

UK:

Our Products

Inquiry Basket

Loading ......

Delete selected Go to checkout

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.052763847
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3