Cas no 408526-93-2 (2-methyl-4-phenoxybutanenitrile)

2-methyl-4-phenoxybutanenitrile structure
408526-93-2 structure
Product Name:2-methyl-4-phenoxybutanenitrile
CAS No:408526-93-2
MF:C11H13NO
MW:175.227022886276
CID:1023437
PubChem ID:45091201
Update Time:2025-09-21

2-methyl-4-phenoxybutanenitrile Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile, 2-methyl-4-phenoxy- (9CI)
    • 2-methyl-4-phenoxybutanenitrile
    • 408526-93-2
    • BUTANENITRILE, 2-METHYL-4-PHENOXY-
    • DB-286163
    • EN300-1864134
    • Inchi: 1S/C11H13NO/c1-10(9-12)7-8-13-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
    • InChI Key: JWLCCNBLJBINGT-UHFFFAOYSA-N
    • SMILES: CC(C#N)CCOC1C=CC=CC=1

Computed Properties

  • Exact Mass: 175.1
  • Monoisotopic Mass: 175.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 176
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 33A^2
  • XLogP3: 2.5

2-methyl-4-phenoxybutanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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$792.0 2023-09-18
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$905.0 2023-09-18
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$943.0 2023-05-26
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Enamine
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Enamine
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Enamine
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