Cas no 33720-94-4 (1,3-Butanedione,1-(2-oxo-1-piperidinyl)-)
33720-94-4 structure
Product Name:1,3-Butanedione,1-(2-oxo-1-piperidinyl)-
CAS No:33720-94-4
MF:C9H13NO3
MW:183.204422712326
CID:320899
PubChem ID:302060
Update Time:2025-04-19
1,3-Butanedione,1-(2-oxo-1-piperidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione,1-(2-oxo-1-piperidinyl)-
- 1-(2-oxopiperidin-1-yl)butane-1,3-dione
- 1-(1,3-dioxobutyl)-2-piperidinone
- 1-acetoacetyl-piperidin-2-one
- AC1L6ZRF
- N-Acetoacetyl-2-piperidon
- NSC183759
- DTXSID50306943
- NSC-183759
- 33720-94-4
-
- Inchi： 1S/C9H13NO3/c1-7(11)6-9(13)10-5-3-2-4-8(10)12/h2-6H2,1H3
- InChI Key： BOADSCUOTWCCBT-UHFFFAOYSA-N
- SMILES： O=C1CCCCN1C(CC(C)=O)=O
Computed Properties
- Exact Mass: 183.08959
- Monoisotopic Mass: 183.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 0.6
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.178
- Boiling Point: 334.4°Cat760mmHg
- Flash Point: 154.4°C
- Refractive Index: 1.494
- PSA: 54.45
- LogP: 0.44250
1,3-Butanedione,1-(2-oxo-1-piperidinyl)- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
33720-94-4 (1,3-Butanedione,1-(2-oxo-1-piperidinyl)-) Related Products
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- 118263-97-1(1-Methylpiperidine-2,4-dione)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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