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Quinoline N-oxide

Quinoline N-oxide structure

CAS No:
1613-37-2
Formula:
C9H7NO
Chemical Name:
Quinoline N-oxide
Synonyms:
Quinoline,1-oxide;Quinoline N-oxide;Quinoline oxide;1-Oxidoquinolin-1-ium
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

ochre to brown crystalline powder and chunks

Quinoline N-oxide Basic Attributes

Molecular Weight：

145.16

Exact Mass：

145.16

EC Number：

216-560-6

DSSTox ID：

DTXSID00167107

HScode：

29334990

Characteristics

PSA：

25.5

XLogP3：

2.26830

Appearance：

Ochre to brown Crystalline Powder and Chunks

Density：

1.13±0.1 g/cm3(Predicted)

Melting Point：

201-202.5 °C

Boiling Point：

155-160 °C @ Press: 3 Torr

Flash Point：

135.2ºC

Refractive Index：

1.597

Safety Information

safety instructions：

24/25

RTECS Number：

VC2335000

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

Quinoline 1-oxide is a known human metabolite of quinoline.

Computed Properties

Molecular Weight:145.16
XLogP3:0.4
Hydrogen Bond Acceptor Count:1
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:25.5
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes