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Nicotinamide N-oxide

Nicotinamide N-oxide structure

CAS No:
1986-81-8
Formula:
C6H6N2O2
Chemical Name:
Nicotinamide N-oxide
Synonyms:
3-Pyridinecarboxamide,1-oxide;Nicotinamide,1-oxide;Nicotinamide N-oxide;NSC 168416;NSC 30531;Pyridine-3-carboxamide 1-oxide;Niacinamide N-oxide;1-Oxidopyridin-1-ium-3-carboxamide;3-Carbamoylpyridin-1-ium-1-olate
Categories:
Biochemical Engineering > Nucleoside Drugs

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Description

WHITE TO SLIGHTLY YELLOW FLUFFY CRYST. NEEDLES

Solid

Nicotinamide N-oxide is a member of pyridines.

Nicotinamide N-oxide Basic Attributes

Molecular Weight：

138.12

Exact Mass：

138.12

EC Number：

217-859-4

UNII：

6UY6QXJ2DP

NSC Number：

168416|30531

DSSTox ID：

DTXSID70173614

HScode：

29339900

Characteristics

PSA：

68.6

XLogP3：

-1.3

Density：

1.3471 (rough estimate)

Melting Point：

275-276 °C (decomp)

Boiling Point：

253.51°C (rough estimate)

Flash Point：

265.1ºC

Refractive Index：

1.5100 (estimate)

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

nicotinamide N-oxide

Nicotinamide N-oxide Use and Manufacturing

A metabolite of Nicotinamide

Computed Properties

Molecular Weight:138.12
XLogP3:-1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.042927438
Monoisotopic Mass:138.042927438
Topological Polar Surface Area:68.6
Heavy Atom Count:10
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetic acid

Hydrogen peroxide

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CAS No.: 1986-81-8

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Guide of Nicotinamide N-oxide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Nicotinamide N-oxide

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