Cas no 80384-98-1 (1-(Piperazin-1-yl)but-2-en-1-one)
80384-98-1 structure
Product Name:1-(Piperazin-1-yl)but-2-en-1-one
CAS No:80384-98-1
MF:C8H14N2O
MW:154.209561824799
CID:881370
PubChem ID:5875664
Update Time:2025-04-19
1-(Piperazin-1-yl)but-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-piperazin-1-ylbut-2-en-1-one
- Piperazine, 1-(1-oxo-2-butenyl)- (9CI)
- AKOS000175601
- EN300-139848
- NSC-133367
- 1-crotonoylpiperazine
- SCHEMBL11080501
- 412334-55-5
- 80384-98-1
- SCHEMBL11080510
- 1-(piperazin-1-yl)but-2-en-1-one
- NSC133367
- CS-0279191
- GIBJEDDGVTYTNP-NSCUHMNNSA-N
- 1-(Piperazin-1-yl)but-2-en-1-one
-
- Inchi： 1S/C8H14N2O/c1-2-3-8(11)10-6-4-9-5-7-10/h2-3,9H,4-7H2,1H3/b3-2+
- InChI Key： GIBJEDDGVTYTNP-NSCUHMNNSA-N
- SMILES： O=C(/C=C/C)N1CCNCC1
Computed Properties
- Exact Mass: 154.110613074g/mol
- Monoisotopic Mass: 154.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 32.3?2
1-(Piperazin-1-yl)but-2-en-1-one Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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