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122909-90-4 | 1-Hexadecanaminium, N,N-dibutyl-N-methyl-, nitrate (1:1)
CAS No: 122909-90-4 Catalog No: AG000JRV MDL No:
Product Description
Catalog Number:
AG000JRV
Chemical Name:
1-Hexadecanaminium, N,N-dibutyl-N-methyl-, nitrate (1:1)
CAS Number:
122909-90-4
Molecular Formula:
C25H54N2O3
Molecular Weight:
430.7079
IUPAC Name:
dibutyl-hexadecyl-methylazanium;nitrate
InChI:
InChI=1S/C25H54N.NO3/c1-5-8-11-12-13-14-15-16-17-18-19-20-21-22-25-26(4,23-9-6-2)24-10-7-3;2-1(3)4/h5-25H2,1-4H3;/q+1;-1
InChI Key:
QUNWVUWBSMFLHC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.413g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.718g/mol
Monoisotopic Mass:
430.413g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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