Cas no 726120-94-1 (1-Octanaminium, N-(cyanomethyl)-N,N-dimethyl-)
726120-94-1 structure
Product Name:1-Octanaminium, N-(cyanomethyl)-N,N-dimethyl-
CAS No:726120-94-1
MF:C12H25N2
MW:197.340303182602
CID:543673
PubChem ID:44139394
Update Time:2025-04-19
1-Octanaminium, N-(cyanomethyl)-N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 1-Octanaminium, N-(cyanomethyl)-N,N-dimethyl-
- cyanomethyl-dimethyl-octylazanium
- DTXSID70657626
- SCHEMBL3891425
- N-(Cyanomethyl)-N,N-dimethyloctan-1-aminium
- 726120-94-1
-
- Inchi： 1S/C12H25N2/c1-4-5-6-7-8-9-11-14(2,3)12-10-13/h4-9,11-12H2,1-3H3/q+1
- InChI Key： ORLUDVLKQVUXST-UHFFFAOYSA-N
- SMILES： [N+](C)(C)(CC#N)CCCCCCCC
Computed Properties
- Exact Mass: 197.201773806g/mol
- Monoisotopic Mass: 197.201773806g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 176
- 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: 3.5
- Topological Polar Surface Area: 23.8?2
1-Octanaminium, N-(cyanomethyl)-N,N-dimethyl- Related Literature
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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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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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