Cas no 30855-80-2 (Benzonitrile,4-(1-aziridinyl)-)
30855-80-2 structure
Product Name:Benzonitrile,4-(1-aziridinyl)-
Benzonitrile,4-(1-aziridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-(1-aziridinyl)-
- 4-(aziridin-1-yl)benzonitrile
- 4-aziridin-1-ylbenzonitrile
- 4-aziridin-1-yl-benzonitrile
- AC1L3JFK
- N-(4-cyanophenyl)aziridine
- N-(p-Cyanophenyl)aziridine
- DTXSID20184871
- AKOS006309423
- 30855-80-2
-
- Inchi： 1S/C9H8N2/c10-7-8-1-3-9(4-2-8)11-5-6-11/h1-4H,5-6H2
- InChI Key： DSCYYBAIFGQGAI-UHFFFAOYSA-N
- SMILES： N1(C2C=CC(C#N)=CC=2)CC1
Computed Properties
- Exact Mass: 144.06884
- Monoisotopic Mass: 144.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 179
- 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: 1.5
- Topological Polar Surface Area: 26.8?2
Experimental Properties
- Density: 1.19
- Boiling Point: 308.3°Cat760mmHg
- Flash Point: 142.3°C
- Refractive Index: 1.621
- PSA: 26.8
Benzonitrile,4-(1-aziridinyl)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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