Cas no 108414-60-4 (2-Propenoic acid,2-[(1-oxobutyl)amino]-, methyl ester)
![2-Propenoic acid,2-[(1-oxobutyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/108500/108414-60-4x500.png)
108414-60-4 structure
Product Name:2-Propenoic acid,2-[(1-oxobutyl)amino]-, methyl ester
CAS No:108414-60-4
MF:C8H13NO3
MW:171.193722486496
CID:128017
Update Time:2024-01-25
2-Propenoic acid,2-[(1-oxobutyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid,2-[(1-oxobutyl)amino]-, methyl ester
- 2-Propenoic acid, 2-[(1-oxobutyl)amino]-, methyl ester
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- Inchi： 1S/C8H13NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h2,4-5H2,1,3H3,(H,9,10)
- InChI Key： YHFRSPZIKJPVNB-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C(NC(=O)CCC)=C
Computed Properties
- Exact Mass: 171.08959
- Monoisotopic Mass: 171.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 199
- 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: 55.4A^2
Experimental Properties
- Density: 1.038±0.06 g/cm3(Predicted)
- Boiling Point: 329.8±34.0 °C(Predicted)
- PSA: 55.4
- pka: 13.12±0.46(Predicted)
2-Propenoic acid,2-[(1-oxobutyl)amino]-, methyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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