Cas no 4204-02-8 (1-Propanone,1-(2,6-dimethyl-1-piperazinyl)-)
4204-02-8 structure
Product Name:1-Propanone,1-(2,6-dimethyl-1-piperazinyl)-
CAS No:4204-02-8
MF:C9H18N2O
MW:170.252022266388
CID:325031
PubChem ID:45099565
Update Time:2025-04-19
1-Propanone,1-(2,6-dimethyl-1-piperazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-(2,6-dimethyl-1-piperazinyl)-
- Piperazine,2,6-dimethyl-1-propionyl- (7CI,8CI)
- 4204-02-8
- 1-(2,6-dimethylpiperazin-1-yl)propan-1-one
- AKOS013225376
- Piperazine, 2,6-dimethyl-1-propionyl- (7CI,8CI)
- DTXSID90667964
-
- Inchi： 1S/C9H18N2O/c1-4-9(12)11-7(2)5-10-6-8(11)3/h7-8,10H,4-6H2,1-3H3
- InChI Key： QGSAGYLGVCPFKI-UHFFFAOYSA-N
- SMILES： O=C(CC)N1C(C)CNCC1C
Computed Properties
- Exact Mass: 170.14204
- Monoisotopic Mass: 170.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 32.3A^2
- XLogP3: 0.4
Experimental Properties
- PSA: 32.34
1-Propanone,1-(2,6-dimethyl-1-piperazinyl)- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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