Cas no 3016-28-2 (Hexanamide, 5-methyl-)
Hexanamide, 5-methyl- structure
Product Name:Hexanamide, 5-methyl-
Hexanamide, 5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanamide, 5-methyl-
- 5-methylhexanamide
- 5-Methyl-hexancarbosaeureamid
- 5-methyl-hexanoic acid amide
- 5-Methyl-hexansaeure-amid
- AKOS006341700
- isopentylacetamide
- NSC98440
- DTXSID40294865
- 3016-28-2
- SCHEMBL104865
- NSC-98440
-
- Inchi: 1S/C7H15NO/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H2,8,9)
- InChI Key: JQASYHORSFXWGI-UHFFFAOYSA-N
- SMILES: O=C(CCCC(C)C)N
Computed Properties
- Exact Mass: 129.11500
- Monoisotopic Mass: 129.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 88.9
- 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: 1.3
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09000
- LogP: 1.99830
Hexanamide, 5-methyl- Related Literature
-
Cristina Jiménez-Rodriguez,Angel A. Nú?ez-Magro,Thomas Seidensticker,Graham R. Eastham,Marc R. L. Furst,David J. Cole-Hamilton Catal. Sci. Technol. 2014 4 2332
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