IUPAC Name: | 3-methyl-2-phenylbutanenitrile |
Description: | 3-Methyl-2-phenylbutanenitrile (CAS# 5558-29-2) is used as a reagent in the synthesis of disubstituted aminopiperidines as calcium channel blockers which are active on pain and neuropathic pain. 3-Methyl-2-phenylbutanenitrile is also used as a reagent in the synthesis of (methylethyl)(oxopropyl)benzeneacetonitrile and noremopamil enantiomers. |
Molecular Weight: | 159.23 |
Molecular Formula: | C11H13N |
Canonical SMILES: | CC(C)C(C#N)C1=CC=CC=C1 |
InChI: | InChI=1S/C11H13N/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3 |
InChI Key: | IAZOLAFPWWQXGU-UHFFFAOYSA-N |
Boiling Point: | 248.5 °C at 760 mmHg |
Density: | 0.957 g/cm3 |
MDL: | MFCD00019805 |
LogP: | 2.94978 |
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