Cas no 545371-76-4 (Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI))
545371-76-4 structure
Product Name:Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI)
CAS No:545371-76-4
MF:C13H26N2O
MW:226.358343601227
CID:941814
PubChem ID:4113992
Update Time:2025-04-19
Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI)
- 1-(4-Ethyl-1-piperazinyl)-1-heptanone
- SCHEMBL23471191
- DB-327222
- PIPERAZINE, 1-ETHYL-4-(1-OXOHEPTYL)-
- AKOS003799167
- Piperazine,1-ethyl-4-(1-oxoheptyl)-(9ci)
- 545371-76-4
-
- Inchi: 1S/C13H26N2O/c1-3-5-6-7-8-13(16)15-11-9-14(4-2)10-12-15/h3-12H2,1-2H3
- InChI Key: NCPZWVRCVFSHIL-UHFFFAOYSA-N
- SMILES: O=C(CCCCCC)N1CCN(CC)CC1
Computed Properties
- Exact Mass: 226.20468
- Monoisotopic Mass: 226.204513457g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 198
- 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: 2.4
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 23.55
Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI) Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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