Cas no 62384-17-2 (Pentanamide, 3,3,4-trimethyl-N-(3-methylbutyl)-)
62384-17-2 structure
Product Name:Pentanamide, 3,3,4-trimethyl-N-(3-methylbutyl)-
CAS No:62384-17-2
MF:C13H27NO
MW:213.359584093094
CID:446755
PubChem ID:71386918
Update Time:2025-04-19
Pentanamide, 3,3,4-trimethyl-N-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanamide, 3,3,4-trimethyl-N-(3-methylbutyl)-
- 3,3,4-trimethyl-N-(3-methylbutyl)pentanamide
- DTXSID70809062
- 62384-17-2
-
- Inchi： 1S/C13H27NO/c1-10(2)7-8-14-12(15)9-13(5,6)11(3)4/h10-11H,7-9H2,1-6H3,(H,14,15)
- InChI Key： MJFCMDMAUKTBPR-UHFFFAOYSA-N
- SMILES： O=C(CC(C)(C)C(C)C)NCCC(C)C
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: 195
- 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: 3.7
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
Pentanamide, 3,3,4-trimethyl-N-(3-methylbutyl)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
62384-17-2 (Pentanamide, 3,3,4-trimethyl-N-(3-methylbutyl)-) Related Products
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