Cas no 67355-36-6 (1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1))
67355-36-6 structure
Product Name:1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1)
CAS No:67355-36-6
MF:C38H84N2O4S
MW:665.149571418762
CID:394948
PubChem ID:11061352
Update Time:2025-04-19
1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1)
- hexadecyl(trimethyl)azanium,sulfate
- DTXSID90453687
- SCHEMBL716034
- cetyltrimethylammonium sulfate
- 67355-36-6
-
- Inchi： 1S/2C19H42N.H2O4S/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h2*5-19H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
- InChI Key： OHYHWAITIOIHFP-UHFFFAOYSA-L
- SMILES： S(=O)(=O)([O-])[O-].[N+](C)(C)(C)CCCCCCCCCCCCCCCC.[N+](C)(C)(C)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 664.61562
- Monoisotopic Mass: 664.61518034g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 45
- Rotatable Bond Count: 30
- Complexity: 243
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 88.6?2
Experimental Properties
- PSA: 80.26
1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1) Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
67355-36-6 (1-Hexadecanaminium, N,N,N-trimethyl-, sulfate (2:1)) Related Products
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