Cas no 62384-16-1 (Pentanamide, 3,3,4-trimethyl-N-(2-methylbutyl)-)
62384-16-1 structure
Product Name:Pentanamide, 3,3,4-trimethyl-N-(2-methylbutyl)-
CAS No:62384-16-1
MF:C13H27NO
MW:213.359584093094
CID:446756
PubChem ID:71386919
Update Time:2025-04-19
Pentanamide, 3,3,4-trimethyl-N-(2-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanamide, 3,3,4-trimethyl-N-(2-methylbutyl)-
- 3,3,4-trimethyl-N-(2-methylbutyl)pentanamide
- 62384-16-1
- DTXSID30809063
-
- Inchi： 1S/C13H27NO/c1-7-11(4)9-14-12(15)8-13(5,6)10(2)3/h10-11H,7-9H2,1-6H3,(H,14,15)
- InChI Key： MBXSQSHRTFRKKB-UHFFFAOYSA-N
- SMILES： O=C(CC(C)(C)C(C)C)NCC(C)CC
Computed Properties
- Exact Mass: 213.20941
- Monoisotopic Mass: 213.209264485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 197
- 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
- XLogP3: 3.7
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
Pentanamide, 3,3,4-trimethyl-N-(2-methylbutyl)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
62384-16-1 (Pentanamide, 3,3,4-trimethyl-N-(2-methylbutyl)-) Related Products
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