Cas no 400756-14-1 (Piperazinone, 1-ethyl-6,6-dimethyl- (9CI))
400756-14-1 structure
Product Name:Piperazinone, 1-ethyl-6,6-dimethyl- (9CI)
CAS No:400756-14-1
MF:C8H16N2O
MW:156.225441932678
CID:925255
PubChem ID:69316437
Update Time:2025-04-19
Piperazinone, 1-ethyl-6,6-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazinone, 1-ethyl-6,6-dimethyl- (9CI)
- DA-06172
- 400756-14-1
- NXTLGLYIGYYZFG-UHFFFAOYSA-N
- SCHEMBL5113925
- 1-Ethyl-6,6-dimethylpiperazin-2-one
-
- Inchi： 1S/C8H16N2O/c1-4-10-7(11)5-9-6-8(10,2)3/h9H,4-6H2,1-3H3
- InChI Key： NXTLGLYIGYYZFG-UHFFFAOYSA-N
- SMILES： O=C1CNCC(C)(C)N1CC
Computed Properties
- Exact Mass: 156.126
- Monoisotopic Mass: 156.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 166
- 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
- Topological Polar Surface Area: 32.3A^2
- XLogP3: 0.1
Piperazinone, 1-ethyl-6,6-dimethyl- (9CI) Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
400756-14-1 (Piperazinone, 1-ethyl-6,6-dimethyl- (9CI)) Related Products
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