Cas no 412341-49-2 (Pentanamide,3-oxo-N-(1-oxobutyl)-)
412341-49-2 structure
Product Name:Pentanamide,3-oxo-N-(1-oxobutyl)-
CAS No:412341-49-2
MF:C9H15NO3
MW:185.220302820206
CID:326464
Update Time:2024-01-28
Pentanamide,3-oxo-N-(1-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
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- Pentanamide,3-oxo-N-(1-oxobutyl)-
- Pentanamide, 3-oxo-N-(1-oxobutyl)-
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- Inchi： 1S/C9H15NO3/c1-3-5-8(12)10-9(13)6-7(11)4-2/h3-6H2,1-2H3,(H,10,12,13)
- InChI Key： YMTVBWSGEMLLEK-UHFFFAOYSA-N
- SMILES： C(NC(=O)CCC)(=O)CC(=O)CC
Computed Properties
- Exact Mass: 185.105
- Monoisotopic Mass: 185.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 211
- 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
- Topological Polar Surface Area: 63.2A^2
Experimental Properties
- Density: 1.044±0.06 g/cm3(Predicted)
- Boiling Point: 321.9±25.0 °C(Predicted)
- pka: 9.73±0.46(Predicted)
Pentanamide,3-oxo-N-(1-oxobutyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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