Cas no 4204-03-9 (1-Propanone,1-(3,5-dimethyl-1-piperazinyl)-)
4204-03-9 structure
Product Name:1-Propanone,1-(3,5-dimethyl-1-piperazinyl)-
CAS No:4204-03-9
MF:C9H18N2O
MW:170.252022266388
CID:325032
PubChem ID:45099564
Update Time:2025-04-19
1-Propanone,1-(3,5-dimethyl-1-piperazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-(3,5-dimethyl-1-piperazinyl)-
- Piperazine,3,5-dimethyl-1-propionyl- (7CI,8CI)
- AKOS013187968
- SCHEMBL12224347
- 4204-03-9
- PIPERAZINE, 3,5-DIMETHYL-1-PROPIONYL- (7CI,8CI)
-
- Inchi： 1S/C9H18N2O/c1-4-9(12)11-5-7(2)10-8(3)6-11/h7-8,10H,4-6H2,1-3H3
- InChI Key： XTDNQXLWASUCPP-UHFFFAOYSA-N
- SMILES： O=C(CC)N1CC(C)NC(C)C1
Computed Properties
- Exact Mass: 170.14204
- Monoisotopic Mass: 170.141913202g/mol
- 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
- XLogP3: 0.4
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
1-Propanone,1-(3,5-dimethyl-1-piperazinyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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