Cas no 463-62-7 (Methanimine, N-oxide)
Methanimine, N-oxide structure
Product Name:Methanimine, N-oxide
CAS No:463-62-7
MF:CH3NO
MW:45.04062
CID:324132
Methanimine, N-oxide Chemical and Physical Properties
Names and Identifiers
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- Methanimine, N-oxide
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- Inchi： InChI=1S/CH3NO/c1-2-3/h2H,1H2
- InChI Key： DITLKQKHWHCNBT-UHFFFAOYSA-N
- SMILES： C=[NH+][O-]
Computed Properties
- Exact Mass: 45.02149
- Monoisotopic Mass: 45.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 3
- Rotatable Bond Count: 0
- Complexity: 12.3
- 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
- Topological Polar Surface Area: 32.6A^2
Experimental Properties
- Density: 0.93
- Boiling Point: 112.2°C at 760 mmHg
- Flash Point: 36.3°C
- Refractive Index: 1.366
- PSA: 37.03
- LogP: 0.39900
Methanimine, N-oxide Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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