Cas no 622386-07-6 (Tert-butyl 4-(pyrazin-2-yl)piperazine-1-carboxylate)
622386-07-6 structure
Product Name:Tert-butyl 4-(pyrazin-2-yl)piperazine-1-carboxylate
CAS No:622386-07-6
MF:C13H20N4O2
MW:264.323502540588
CID:2197310
PubChem ID:21069279
Update Time:2025-04-21
Tert-butyl 4-(pyrazin-2-yl)piperazine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Tert-butyl 4-(pyrazin-2-yl)piperazine-1-carboxylate
- tert-butyl 4-(pyrazin-2-yl)piperazine-1-carboxylate;
- 622386-07-6
- SCHEMBL12964697
- DB-335703
- AKOS009103827
- KUIUUMNWANUECJ-UHFFFAOYSA-N
-
- Inchi： 1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-6-16(7-9-17)11-10-14-4-5-15-11/h4-5,10H,6-9H2,1-3H3
- InChI Key： KUIUUMNWANUECJ-UHFFFAOYSA-N
- SMILES： O(C(N1CCN(C2C=NC=CN=2)CC1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 264.15900
- Monoisotopic Mass: 264.15862589Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 308
- 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: 0.9
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.56000
- LogP: 1.53660
Tert-butyl 4-(pyrazin-2-yl)piperazine-1-carboxylate Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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