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1453-82-3

1453-82-3 structural image
Product Name: Isonicotinamide
Formula: C6H6N2O
Synonyms: 4-Pyridinecarboxylic acid amide;Isonicotinic acid amide, Isonicotinamide;Pyridine-4-carboxylic acid amide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White powder; [Acros Organics MSDS]
Vapor Pressure 0.00042 [mmHg]
Kovats Retention Index 1408
Chemical Classes Nitrogen Compounds -> Pyridines

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 122.12 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 122.048012819 g/mol
Monoisotopic Mass 122.048012819 g/mol
Topological Polar Surface Area 56 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 108
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

PRODUCT INTRODUCTION

description

Isonicotinamide is a pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid. It is functionally related to an isonicotinic acid.

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