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2,6-Dimethyl-4-(2-methyl-2-propanyl)benzonitrile
[CAS# 88166-76-1]

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Identification
Name 2,6-Dimethyl-4-(2-methyl-2-propanyl)benzonitrile
Synonyms 4-TERT-BUTYL-2,6-DIMETHYLBENZONITRILE; Maybridge1_007615; ZINC01039556
Molecular Structure CAS#: 88166-76-1, 2,6-Dimethyl-4-(2-methyl-2-propanyl)benzonitrile
Molecular Formula C13H17N
Molecular Weight 187.28
CAS Registry Number 88166-76-1
SMILES N#Cc1c(cc(cc1C)C(C)(C)C)C
InChI 1S/C13H17N/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,1-5H3
InChIKey OIOQMLCBUREXCF-UHFFFAOYSA-N
Properties
Density 0.946g/cm3 (Cal.)
Boiling point 278.7°C at 760 mmHg (Cal.)
Flash point 122.598°C (Cal.)
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