Isoquinoline N-oxide

CAT: 0024-sc-228378Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-228378Size:5 g

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CAS Number

1532-72-5

Chemical Information

isoquinolin-N-oxide

Isoquinoline N-oxide is a member of isoquinolines.

CAS Number	1532-72-5
PubChem CID	290378
IUPAC Name	2-oxidoisoquinolin-2-ium
Molecular Formula	C9H7NO
Molecular Weight	145.16
XLogP	0.3
Topological Polar Surface Area	25.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	138

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

InChIKey

RZIAABRFQASVSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1532-72-5

CID: 290378

Formula: C9H7NO

MW: 145.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.16
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	145.052763847
Monoisotopic Mass	145.052763847
Topological Polar Surface Area	25.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-255224A	Isoquinoline
sc-255224	Isoquinoline
sc-215498	N, N-Dimethyldodecylamine N-oxide
sc-250526	N, N-Dimethylundecylamine N-oxide
sc-215497	N, N-Dimethyldecylamine N-oxide
sc-498800	Diltiazem N-Oxide
sc-250813	Pyridazine N-oxide
sc-476496	Piribedil N-Oxide
sc-473307	Trimipramine N-Oxide
sc-500623A	Clarithromycin N-Oxide

Catalog	Name
280732-01	Isoquinoline-N-oxide
452720-01	Isoquinoline N-Oxide
JDA46826-01	N- (2-Methylpropyl) isoquinoline-5-sulfonamide
OR1007345	N- (2-Aminoethyl) isoquinoline-5-sulfonamide
REA97090-01	N-[2- (Propylamino) ethyl]isoquinoline-5-sulfonamide
AR-F01110-01	N- (2-aminoethyl) isoquinoline-5-sulfonamide dihydrochloride
OR1068746-01	N- (2-Aminoethyl) isoquinoline-5-sulfonamide hydrochloride
OR1050562-01	N- (Pyrrolidin-3-yl) isoquinoline-1-carboxamide hydrochloride
DWB12320-01	5-N- (4-Fluorophenyl) isoquinoline-5,8-diamine
TRC-B682440-5MG	N-[2-(p-Bromocinnamylamino)ethyl]-5-Isoquinoline Sulfonamide