Cas no 59702-20-4 (Piperazinone, 1-butyl-5-methyl- (9CI))
59702-20-4 structure
Product Name:Piperazinone, 1-butyl-5-methyl- (9CI)
CAS No:59702-20-4
MF:C9H18N2O
MW:170.252022266388
CID:950542
PubChem ID:45099551
Update Time:2025-04-19
Piperazinone, 1-butyl-5-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperazinone, 1-butyl-5-methyl- (9CI)
- 1-ACETYL-4-(1-METHYLETHYL)PIPERAZINE
- 1-butyl-5-methylpiperazin-2-one
- DTXSID00667955
- SCHEMBL1583520
- DB-327243
- 59702-20-4
- PIPERAZINONE, 1-BUTYL-5-METHYL-
-
- Inchi： 1S/C9H18N2O/c1-3-4-5-11-7-8(2)10-6-9(11)12/h8,10H,3-7H2,1-2H3
- InChI Key： BOKCRWHEEUMBEI-UHFFFAOYSA-N
- SMILES： O=C1CNC(C)CN1CCCC
Computed Properties
- Exact Mass: 170.141913202g/mol
- 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: 3
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 32.3?2
Piperazinone, 1-butyl-5-methyl- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
59702-20-4 (Piperazinone, 1-butyl-5-methyl- (9CI)) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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