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144826-18-6 | 1-Octanaminium, N-methyl-N,N-dioctyl-, carbonate (1:1)
CAS No: 144826-18-6 Catalog No: AG001K7S MDL No:
Product Description
Catalog Number:
AG001K7S
Chemical Name:
1-Octanaminium, N-methyl-N,N-dioctyl-, carbonate (1:1)
CAS Number:
144826-18-6
Molecular Formula:
C26H55NO3
Molecular Weight:
429.7198
IUPAC Name:
hydrogen carbonate;methyl(trioctyl)azanium
InChI:
InChI=1S/C25H54N.CH2O3/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;2-1(3)4/h5-25H2,1-4H3;(H2,2,3,4)/q+1;/p-1
InChI Key:
JZBORXYMEWOQRS-UHFFFAOYSA-M
SMILES:
[O-]C(=O)O.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.418g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.73g/mol
Monoisotopic Mass:
429.418g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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