Cas no 18598-93-1 (2-methyl-2-propanyl Nitroacetate)
18598-93-1 structure
Product Name:2-methyl-2-propanyl Nitroacetate
CAS No:18598-93-1
MF:C6H11NO4
MW:161.155842065811
CID:1379209
PubChem ID:11332634
Update Time:2025-04-20
2-methyl-2-propanyl Nitroacetate Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-2-propanyl Nitroacetate
- AC1L561Z
- 2-methyl-2-(nitroperoxy)propane
- 2-Nitroessigsaeure-tert-butylester
- CTK4I6647
- t-Butylperoxynitrat
- Peroxynitric acid, 1,1-dimethylethyl ester
- Nitro-essigsaeure-tert.-butylester
- tert-Butyl peroxynitrate
- peroxonitric acid tert-butyl ester
- tert-butyl nitroacetate
- AG-F-52011
- tert-butyl nitro peroxide
- AC1L561Z; 2-methyl-2-(nitroperoxy)propane; 2-Nitroessigsaeure-tert-butylester; CTK4I6647; t-Butylperoxynitrat; Peroxynitric acid, 1,1-dimethylethyl ester; Nitro-essigsaeure-tert.-butylester; tert-Butyl peroxynitrate; peroxonitric acid tert-butyl ester; tert-butyl nitroacetate; AG-F-52011; tert-butyl nitro peroxide;
- 18598-93-1
- AKOS006309226
-
- Inchi： 1S/C6H11NO4/c1-6(2,3)11-5(8)4-7(9)10/h4H2,1-3H3
- InChI Key： QMQBQFMIOXUDNV-UHFFFAOYSA-N
- SMILES： O(C(C[N+](=O)[O-])=O)C(C)(C)C
Computed Properties
- Exact Mass: 161.06880783g/mol
- Monoisotopic Mass: 161.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 164
- 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: 1.1
- Topological Polar Surface Area: 72.1?2
2-methyl-2-propanyl Nitroacetate Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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