Cas no 18389-96-3 (Carbamoperoxoic acid,1,1-dimethylethyl ester (9CI))
18389-96-3 structure
Product Name:Carbamoperoxoic acid,1,1-dimethylethyl ester (9CI)
CAS No:18389-96-3
MF:C5H11NO3
MW:133.145741701126
CID:122959
PubChem ID:13070237
Update Time:2025-04-18
Carbamoperoxoic acid,1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamoperoxoic acid,1,1-dimethylethyl ester (9CI)
- Carbamoperoxoic acid, 1,1-dimethylethyl ester (9CI)
- 18389-96-3
- tert-butyl carbamoperoxoate
- SCHEMBL599804
- AKOS006341017
-
- Inchi： 1S/C5H11NO3/c1-5(2,3)9-8-4(6)7/h1-3H3,(H2,6,7)
- InChI Key： QSLMSOBCWZNNCH-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)OC(N)=O
Computed Properties
- Exact Mass: 133.07393
- Monoisotopic Mass: 133.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 105
- 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: 0.6
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.55
Carbamoperoxoic acid,1,1-dimethylethyl ester (9CI) Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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