Cas no 63812-08-8 (Octane, 2-isocyano-)
Octane, 2-isocyano- structure
Product Name:Octane, 2-isocyano-
Octane, 2-isocyano- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 2-isocyano-
- 2-isocyanooctane
- 2-ISOCYANO-OCTANE
- AKOS006278838
- DTXSID20402825
- 63812-08-8
-
- MDL: MFCD02664644
- Inchi: 1S/C9H17N/c1-4-5-6-7-8-9(2)10-3/h9H,4-8H2,1-2H3
- InChI Key: JTAABLWLSTZYLU-UHFFFAOYSA-N
- SMILES: [N+](#[C-])C(C)CCCCCC
Computed Properties
- Exact Mass: 139.13621
- Monoisotopic Mass: 139.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 4.4?2
Experimental Properties
- PSA: 4.36
Octane, 2-isocyano- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
63812-08-8 (Octane, 2-isocyano-) Related Products
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