Cas no 7144-74-3 (Butanoic acid,2-[ethyl(1-oxobutyl)amino]ethyl ester)
7144-74-3 structure
Product Name:Butanoic acid,2-[ethyl(1-oxobutyl)amino]ethyl ester
CAS No:7144-74-3
MF:C12H23NO3
MW:229.315923929214
CID:575295
PubChem ID:245382
Update Time:2025-04-19
Butanoic acid,2-[ethyl(1-oxobutyl)amino]ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-[ethyl(1-oxobutyl)amino]ethyl ester
- 2-[butanoyl(ethyl)amino]ethyl butanoate
- AC1L6FQW
- AC1Q5IFJ
- AG-J-32483
- AR-1D7079
- CTK5D4100
- NSC57331
- NSC-57331
- 7144-74-3
- DTXSID70288691
-
- Inchi: 1S/C12H23NO3/c1-4-7-11(14)13(6-3)9-10-16-12(15)8-5-2/h4-10H2,1-3H3
- InChI Key: WIDCBXCSJKGBEW-UHFFFAOYSA-N
- SMILES: O(C(CCC)=O)CCN(C(CCC)=O)CC
Computed Properties
- Exact Mass: 229.16789
- Monoisotopic Mass: 229.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 216
- 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: 1.6
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- Density: 0.978
- Boiling Point: 329.6°C at 760 mmHg
- Flash Point: 153.1°C
- Refractive Index: 1.451
- PSA: 46.61
- LogP: 1.97830
Butanoic acid,2-[ethyl(1-oxobutyl)amino]ethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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5. 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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