α-Methyl-4-(2-methylpropyl)benzeneacetonitrile
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α-Methyl-4-(2-methylpropyl)benzeneacetonitrile
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CAS No:
58609-73-7
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Formula:
C13H17N
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Chemical Name:
α-Methyl-4-(2-methylpropyl)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-methyl-4-(2-methylpropyl)-;α-Methyl-4-(2-methylpropyl)benzeneacetonitrile;2-(4-Isobutylphenyl)propionitrile;2-(4′-Isobutylphenyl)propionitrile;2-(4-Isobutylphenyl)propanenitrile;2-[4-(2-Methylpropyl)phenyl]propanenitrile;99148-34-2;158268-53-2
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CAS No:
α-Methyl-4-(2-methylpropyl)benzeneacetonitrile Basic Attributes
187.28100
187.28
261-365-1
2926909090
Safety Information
UN3276
R20/21/22
S26; S36/37/39
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:187.28
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:187.136099547
Monoisotopic Mass:187.136099547
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:203
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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