Cas no 194350-95-3 (1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester)
194350-95-3 structure
Product Name:1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester
CAS No:194350-95-3
MF:C11H20N2O3
MW:228.288103103638
CID:136667
PubChem ID:18783917
Update Time:2025-04-19
1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester
- tert-butyl 4-ethyl-3-oxopiperazine-1-carboxylate
- 1-ETHYL-4-(TERT-BUTYLOXYCARBONYL)PIPERAZIN-2-ONE
- 1-tert-butoxycarbonyl-4-ethyl-3-oxopiperazine
- 4-ethyl-3-oxopiperazine-1-carboxylic acid tert-butyl ester
- LVBZKGZHTMYSFA-UHFFFAOYSA-N
- 194350-95-3
- 1-Piperazinecarboxylicacid,4-ethyl-3-oxo-,1,1-dimethylethyl ester
- SCHEMBL3635546
- DTXSID50596226
- AKOS015911523
-
- Inchi： 1S/C11H20N2O3/c1-5-12-6-7-13(8-9(12)14)10(15)16-11(2,3)4/h5-8H2,1-4H3
- InChI Key： LVBZKGZHTMYSFA-UHFFFAOYSA-N
- SMILES： O(C(N1CC(N(CC)CC1)=O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 228.14700
- Monoisotopic Mass: 228.14739250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 283
- 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: 0.8
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- Density: 1.087
- Boiling Point: 348 °C at 760 mmHg
- Flash Point: 164.3 °C
- PSA: 49.85000
- LogP: 0.96140
1-Piperazinecarboxylicacid, 4-ethyl-3-oxo-, 1,1-dimethylethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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