Cas no 6968-27-0 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2,2,3-trimethylbutanamide
- 2,2,3-Trimethyl-buttersaeure-amid
- 2,2,3-trimethyl-butyric acid amide
- 2,2-dimethylisovaleramide
- AC1L5FYF
- AC1Q5ISS
- AG-K-77834
- AR-1D0564
- CTK5D0904
- NSC20679
- NSC-20679
- DTXSID10281181
- SCHEMBL23604631
- Dimethyl-i-propyl-acetamid
- AKOS006342393
- SCHEMBL276116
- 6968-27-0
-
-
- Inchi： 1S/C7H15NO/c1-5(2)7(3,4)6(8)9/h5H,1-4H3,(H2,8,9)
- InChI Key： WXVBAUOIPSBUQU-UHFFFAOYSA-N
- SMILES： O=C(C(C)(C)C(C)C)N
Computed Properties
- Exact Mass: 129.11545
- 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: 2
- Complexity: 116
- 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: 43.09
- LogP: 1.85420
Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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