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5098-11-3

5098-11-3 structural image
Product Name: 5-Amino-1H-imidazol-4-carbonitrile
Formula: C4H4N4
Synonyms: 4-Amino-1H-imidazole-5-carbonitrile;5-Amino-1H-imidazole-4-carbonitrile;5-Amino-4-cyanoimidazole;5-Amino-4-imidazolecarbonitrile;5-Cyano-4-aminoimidazole
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H318:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 108.10 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 108.043596145 g/mol
Monoisotopic Mass 108.043596145 g/mol
Topological Polar Surface Area 78.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 123
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