Cas no 105841-29-0 (1-Hexadecanaminium, N,N-diethyl-N-hexadecyl-, nitrate)
105841-29-0 structure
Product Name:1-Hexadecanaminium, N,N-diethyl-N-hexadecyl-, nitrate
CAS No:105841-29-0
MF:C36H76N2O3
MW:585.00025177002
CID:1168759
PubChem ID:71333872
Update Time:2025-04-20
1-Hexadecanaminium, N,N-diethyl-N-hexadecyl-, nitrate Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexadecanaminium, N,N-diethyl-N-hexadecyl-, nitrate
- diethyl(dihexadecyl)azanium,nitrate
- N,N-Diethyl-N-hexadecylhexadecan-1-aminium nitrate
- DTXSID80762058
- 105841-29-0
-
- Inchi： 1S/C36H76N.NO3/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(7-3,8-4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;2-1(3)4/h5-36H2,1-4H3;/q+1;-1
- InChI Key： FHYCJCVXLROHOO-UHFFFAOYSA-N
- SMILES： [O-][N+](=O)[O-].[N+](CC)(CC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 584.58598
- Monoisotopic Mass: 584.58559429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 41
- Rotatable Bond Count: 32
- Complexity: 384
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 66.2
1-Hexadecanaminium, N,N-diethyl-N-hexadecyl-, nitrate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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2. 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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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