Cas no 52161-38-3 (2,2,3,3-tetramethylbutanenitrile)

2,2,3,3-Tetramethylbutanenitrile is a highly branched aliphatic nitrile with the molecular formula C8H15N. Its unique sterically hindered structure contributes to enhanced stability and resistance to nucleophilic attack, making it a valuable intermediate in organic synthesis. The compound is particularly useful in the preparation of specialty chemicals, including pharmaceuticals and agrochemicals, where its rigid framework can impart desirable properties to final products. Its low reactivity under standard conditions allows for controlled functionalization, while its volatility and purity make it suitable for high-precision applications. The nitrile group provides a versatile handle for further transformations, such as hydrolysis or reduction, enabling diverse synthetic pathways.
2,2,3,3-tetramethylbutanenitrile structure
52161-38-3 structure
Product Name:2,2,3,3-tetramethylbutanenitrile
CAS No:52161-38-3
MF:C8H15N
MW:125.211402177811
CID:360400
PubChem ID:20153718
Update Time:2025-06-08

2,2,3,3-tetramethylbutanenitrile Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile, 2,2,3,3-tetramethyl-
    • 2,2,3,3-tetramethylbutanenitrile
    • DTXSID90603029
    • EN300-1859417
    • 52161-38-3
    • SCHEMBL6722950
    • Inchi： 1S/C8H15N/c1-7(2,3)8(4,5)6-9/h1-5H3
    • InChI Key： MOSJNBGPCBBNCG-UHFFFAOYSA-N
    • SMILES： N#CC(C)(C)C(C)(C)C

Computed Properties

  • Exact Mass: 125.12055
  • Monoisotopic Mass: 125.120449483g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79

2,2,3,3-tetramethylbutanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1859417-0.05g
2,2,3,3-tetramethylbutanenitrile
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0.05g
 $528.0 2023-09-18
Enamine
EN300-1859417-0.1g
2,2,3,3-tetramethylbutanenitrile
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0.1g
 $553.0 2023-09-18
Enamine
EN300-1859417-0.25g
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0.25g
 $579.0 2023-09-18
Enamine
EN300-1859417-0.5g
2,2,3,3-tetramethylbutanenitrile
 52161-38-3
0.5g
 $603.0 2023-09-18
Enamine
EN300-1859417-1.0g
2,2,3,3-tetramethylbutanenitrile
 52161-38-3
1g
 $785.0 2023-05-26
Enamine
EN300-1859417-2.5g
2,2,3,3-tetramethylbutanenitrile
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2.5g
 $1230.0 2023-09-18
Enamine
EN300-1859417-5.0g
2,2,3,3-tetramethylbutanenitrile
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5g
 $2277.0 2023-05-26
Enamine
EN300-1859417-10.0g
2,2,3,3-tetramethylbutanenitrile
 52161-38-3
10g
 $3376.0 2023-05-26
Enamine
EN300-1859417-1g
2,2,3,3-tetramethylbutanenitrile
 52161-38-3
1g
 $628.0 2023-09-18
Enamine
EN300-1859417-5g
2,2,3,3-tetramethylbutanenitrile
 52161-38-3
5g
 $1821.0 2023-09-18

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