Cas no 64215-28-7 (3-Pyridinecarbonitrile, 1-hexyl-1,2-dihydro-4,6-dimethyl-2-oxo-)
64215-28-7 structure
Product Name:3-Pyridinecarbonitrile, 1-hexyl-1,2-dihydro-4,6-dimethyl-2-oxo-
CAS No:64215-28-7
MF:C14H20N2O
MW:232.321403503418
CID:1672953
Update Time:2024-08-30
3-Pyridinecarbonitrile, 1-hexyl-1,2-dihydro-4,6-dimethyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbonitrile, 1-hexyl-1,2-dihydro-4,6-dimethyl-2-oxo-
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- Inchi： 1S/C14H20N2O/c1-4-5-6-7-8-16-12(3)9-11(2)13(10-15)14(16)17/h9H,4-8H2,1-3H3
- InChI Key： JFCWJJKHYSRYJL-UHFFFAOYSA-N
- SMILES： C1(=O)N(CCCCCC)C(C)=CC(C)=C1C#N
Computed Properties
- Exact Mass: 232.1577
Experimental Properties
- Density: 1.03±0.1 g/cm3(Predicted)
- Boiling Point: 374.1±31.0 °C(Predicted)
- PSA: 44.1
- pka: -3.62±0.70(Predicted)
3-Pyridinecarbonitrile, 1-hexyl-1,2-dihydro-4,6-dimethyl-2-oxo- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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