Cas no 154393-82-5 (1H-Cyclopentapyrazine,octahydro-1,4-dimethyl-)
154393-82-5 structure
Product Name:1H-Cyclopentapyrazine,octahydro-1,4-dimethyl-
CAS No:154393-82-5
MF:C9H18N2
MW:154.252622127533
CID:106563
PubChem ID:45099404
Update Time:2025-04-18
1H-Cyclopentapyrazine,octahydro-1,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Cyclopentapyrazine,octahydro-1,4-dimethyl-
- (2R,5S)-2,5-DIMETHYL-1-PROP-2-EN-1-YLPIPERAZINE
- 1,4-dimethyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazine
- 1H-Cyclopentapyrazine,octahydro-1,4-dimethyl
- OCTAHYDRO-1,4-DIMETHYL-1H-CYCLOPENTAPYRAZINE
- 1H-Cyclopentapyrazine,octahydro-1,4-dimethyl-(9CI)
- 1,4-Dimethyloctahydro-1H-cyclopenta[b]pyrazine
- 154393-82-5
- DTXSID90667868
-
- Inchi： 1S/C9H18N2/c1-10-6-7-11(2)9-5-3-4-8(9)10/h8-9H,3-7H2,1-2H3
- InChI Key： RRPRGGRVGDTZHP-UHFFFAOYSA-N
- SMILES： N1(C)CCN(C)C2CCCC12
Computed Properties
- Exact Mass: 154.14700
- Monoisotopic Mass: 154.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 131
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 6.5A^2
- XLogP3: 1.1
Experimental Properties
- PSA: 6.48000
- LogP: 0.66050
1H-Cyclopentapyrazine,octahydro-1,4-dimethyl- Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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