Cas no 869901-78-0 (2-Piperazinone,1-ethyl-5-methyl-, (5S)-)
869901-78-0 structure
Product Name:2-Piperazinone,1-ethyl-5-methyl-, (5S)-
CAS No:869901-78-0
MF:C7H14N2O
MW:142.198861598969
CID:720338
Update Time:2024-01-31
2-Piperazinone,1-ethyl-5-methyl-, (5S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperazinone,1-ethyl-5-methyl-, (5S)-
- (5S)-1-ethyl-5-methylpiperazin-2-one
- (S)-1-ethyl-5-methylpiperazin-2-one
- (5S)-1-Ethyl-5-methyl-2-piperazinone
- (5S)-1-Ethyl-5-methyl-Piperazinone (9CI)
- 2-Piperazinone, 1-ethyl-5-methyl-, (5S)-
-
- MDL： MFCD09878617
- Inchi： 1S/C7H14N2O/c1-3-9-5-6(2)8-4-7(9)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1
- InChI Key： HKAYDMPIWDDERB-LURJTMIESA-N
- SMILES： N1(CC)C[C@H](C)NCC1=O
Computed Properties
- Exact Mass: 142.11100
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
Experimental Properties
- Density: 0.963
- Boiling Point: 259℃
- Flash Point: 110℃
- PSA: 32.34000
- LogP: 0.09330
2-Piperazinone,1-ethyl-5-methyl-, (5S)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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