Cas no 113934-96-6 (2(1H)-Pyrazinone,1-(2-hydroxyethyl)-3,5,6-trimethyl-)
113934-96-6 structure
Product Name:2(1H)-Pyrazinone,1-(2-hydroxyethyl)-3,5,6-trimethyl-
CAS No:113934-96-6
MF:C9H14N2O2
MW:182.219662189484
CID:106124
PubChem ID:14773530
Update Time:2025-04-18
2(1H)-Pyrazinone,1-(2-hydroxyethyl)-3,5,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrazinone,1-(2-hydroxyethyl)-3,5,6-trimethyl-
- 1-(2-HYDROXYETHYL)-3,5,6-TRIMETHYLPYRAZIN-2(1H)-ONE
- 1-(2-hydroxyethyl)-3,5,6-trimethylpyrazin-2-one
- 2(1H)-Pyrazinone,1-(2-hydroxyethyl)-3,5,6-trimethyl-(9CI)
- DTXSID30563875
- 113934-96-6
- SCHEMBL10376302
- 1-(2-hydroxyethyl)-3,5,6-trimethyl-2-oxo-1,2-dihydropyrazine
- MDLGFHKUIYELDZ-UHFFFAOYSA-N
-
- Inchi： 1S/C9H14N2O2/c1-6-8(3)11(4-5-12)9(13)7(2)10-6/h12H,4-5H2,1-3H3
- InChI Key： MDLGFHKUIYELDZ-UHFFFAOYSA-N
- SMILES： OCCN1C(C(C)=NC(C)=C1C)=O
Computed Properties
- Exact Mass: 182.10562
- Monoisotopic Mass: 182.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 292
- 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: -0.5
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- PSA: 52.9
- LogP: 0.16080
2(1H)-Pyrazinone,1-(2-hydroxyethyl)-3,5,6-trimethyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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