4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
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4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
structure -
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CAS No:
189956-45-4
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Formula:
C11H8N4O
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Chemical Name:
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
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Synonyms:
Benzonitrile,4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-;4-[(1,4-Dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile;4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile;4-[(6-Oxo-1,6-dihydropyrimidin-2-yl)amino]benzonitrile;1238341-54-2
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CAS No:
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile Basic Attributes
212.21
212.21
606-195-4
DTXSID40444368
2933599090
Characteristics
77.3
1.11
1.4±0.1 g/cm3
482.3±51.0 °C at 760 mmHg
245.5±30.4 °C
1.677
1.34E-06mmHg at 25°C
Safety Information
|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile Use and Manufacturing
Used in the preparation of 2-naphthyl substituted diarylpyrimidines (DAPY) analogues.
Computed Properties
Molecular Weight:212.21
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:212.06981089
Monoisotopic Mass:212.06981089
Topological Polar Surface Area:77.3
Heavy Atom Count:16
Complexity:382
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
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