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Home > Encyclopedia > α-Methyl-4-(2-methylpropyl)benzeneacetonitrile

α-Methyl-4-(2-methylpropyl)benzeneacetonitrile

α-Methyl-4-(2-methylpropyl)benzeneacetonitrile structure

α-Methyl-4-(2-methylpropyl)benzeneacetonitrile 

structure
  • CAS No:

    58609-73-7

  • Formula:

    C13H17N

  • Chemical Name:

    α-Methyl-4-(2-methylpropyl)benzeneacetonitrile

  • 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

Description

(+-)-2-(4'-isobutylphenyl)propionitrile is a nitrile.

α-Methyl-4-(2-methylpropyl)benzeneacetonitrile Basic Attributes

187.28100

187.28

261-365-1

2926909090

Characteristics

23.79000

3.51218

colorless liquid.

0.94 g/cm3

289.3ºC at 760 mmHg

130.5ºC

1.505

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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