Cas no 87539-11-5 (3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)-)
87539-11-5 structure
Product Name:3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)-
CAS No:87539-11-5
MF:C10H16N2O
MW:180.246842384338
CID:655246
PubChem ID:13188688
Update Time:2025-04-19
3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)-
- 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one
- 6-(1-ethyl-1-methylpropyl)-3-pyridazinone
- VJRIHHPKUHHAKD-UHFFFAOYSA-N
- SCHEMBL11177451
- 87539-11-5
- 6-(3-Methylpentan-3-yl)pyridazin-3(2H)-one
- DTXSID50525910
- 6-(1-ethyl-1-methylpropyl)pyridazin-3-one
-
- Inchi： 1S/C10H16N2O/c1-4-10(3,5-2)8-6-7-9(13)12-11-8/h6-7H,4-5H2,1-3H3,(H,12,13)
- InChI Key： VJRIHHPKUHHAKD-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C(C)(CC)CC)=NN1
Computed Properties
- Exact Mass: 180.126263138g/mol
- Monoisotopic Mass: 180.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 262
- 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: 1.7
- Topological Polar Surface Area: 41.5?2
3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
87539-11-5 (3(2H)-Pyridazinone, 6-(1-ethyl-1-methylpropyl)-) Related Products
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