Cas no 2364-50-3 (3-Methyl-N-phenylbutanamide)

3-Methyl-N-phenylbutanamide structure
3-Methyl-N-phenylbutanamide structure
Product Name:3-Methyl-N-phenylbutanamide
CAS No:2364-50-3
MF:C11H15NO
MW:177.242902994156
CID:264535
PubChem ID:222941
Update Time:2025-04-19

3-Methyl-N-phenylbutanamide Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-N-phenylbutanamide
    • Butanamide,3-methyl-N-phenyl-
    • ISOVALERANILIDE
    • Bitanamide, 3-methyl-N-phenyl
    • Isovaleric acid anilide
    • N-Phenylisovaleramide
    • AMY10498
    • NCGC00342245-01
    • DTXSID40946458
    • L10104
    • SCHEMBL3021548
    • NSC-10040
    • 3-Methyl-N-phenylbutanamide #
    • AKOS002950896
    • 3-Methyl-N-phenylbutanimidic acid
    • AB01334778-02
    • 2364-50-3
    • BIPERIDENHYDROCHLORIDE
    • 3-methyl-N-phenyl-butyramide
    • NSC10040
    • Butanamide, 3-methyl-N-phenyl-
    • FT-0692235
    • DB-044799
    • STK390311
    • DB-032369
    • Inchi: 1S/C11H15NO/c1-9(2)8-11(13)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
    • InChI Key: WQRPHHIOZYGAMQ-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)C)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 177.11545
  • Monoisotopic Mass: 177.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 160
  • 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: 2.5
  • Topological Polar Surface Area: 29.1A^2

Experimental Properties

  • Density: 1.027
  • Melting Point: 112-113 oC
  • Boiling Point: 330.8°Cat760mmHg
  • Flash Point: 195.5°C
  • PSA: 29.1
  • LogP: 2.74420

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