Cas no 847789-44-0 ((2-Tert-Butylcarbamoyl-ethyl)-carbamic acid tert-butyl ester)
847789-44-0 structure
Product Name:(2-Tert-Butylcarbamoyl-ethyl)-carbamic acid tert-butyl ester
CAS No:847789-44-0
MF:C12H24N2O3
MW:244.330563545227
CID:2119445
Update Time:2023-08-04
(2-Tert-Butylcarbamoyl-ethyl)-carbamic acid tert-butyl ester Chemical and Physical Properties
Names and Identifiers
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- (2-tert-butylcarbamoyl-ethyl)-carbamic acid tert-butyl ester
- XEGJFNPJUVWNGZ-UHFFFAOYSA-N
- STK497929
- N~3~-(tert-butoxycarbonyl)-N-tert-butyl-beta-alaninamide
- N~3~-(tert-butoxycarbonyl)-N-(tert-butyl)-beta-alaninamide
- (2-Tert-Butylcarbamoyl-ethyl)-carbamic acid tert-butyl ester
-
- Inchi： 1S/C12H24N2O3/c1-11(2,3)14-9(15)7-8-13-10(16)17-12(4,5)6/h7-8H2,1-6H3,(H,13,16)(H,14,15)
- InChI Key： XEGJFNPJUVWNGZ-UHFFFAOYSA-N
- SMILES： O(C(NCCC(NC(C)(C)C)=O)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 275
- Topological Polar Surface Area: 67.4
(2-Tert-Butylcarbamoyl-ethyl)-carbamic acid tert-butyl ester Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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