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144865-55-4 | 1-Hexadecanaminium, N-(1,1-dimethylethyl)-N,N-dihexadecyl-, iodide (1:1)
CAS No: 144865-55-4 Catalog No: AG001K9B MDL No:
Product Description
Catalog Number:
AG001K9B
Chemical Name:
1-Hexadecanaminium, N-(1,1-dimethylethyl)-N,N-dihexadecyl-, iodide (1:1)
CAS Number:
144865-55-4
Molecular Formula:
C52H108IN
Molecular Weight:
874.3251
IUPAC Name:
tert-butyl(trihexadecyl)azanium;iodide
InChI:
InChI=1S/C52H108N.HI/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-53(52(4,5)6,50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3;/h7-51H2,1-6H3;1H/q+1;/p-1
InChI Key:
JGMXSKCCIAUHFG-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[N+](C(C)(C)C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[I-]
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
873.753g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
874.347g/mol
Monoisotopic Mass:
873.753g/mol
Rotatable Bond Count:
46
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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