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129117-49-3 | 1,4,7,10-Tetraoxa-13-azoniacyclopentadecane, 13-dodecyl-13-methyl-, bromide (1:1)
CAS No: 129117-49-3 Catalog No: AG000YVH MDL No:
Product Description
Catalog Number:
AG000YVH
Chemical Name:
1,4,7,10-Tetraoxa-13-azoniacyclopentadecane, 13-dodecyl-13-methyl-, bromide (1:1)
CAS Number:
129117-49-3
Molecular Formula:
C23H48BrNO4
Molecular Weight:
482.5355
IUPAC Name:
13-dodecyl-13-methyl-1,4,7,10-tetraoxa-13-azoniacyclopentadecane;bromide
InChI:
InChI=1S/C23H48NO4.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)14-16-25-18-20-27-22-23-28-21-19-26-17-15-24;/h3-23H2,1-2H3;1H/q+1;/p-1
InChI Key:
DUHBLGCXLOJNDU-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+]1(C)CCOCCOCCOCCOCC1.[Br-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.277g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.544g/mol
Monoisotopic Mass:
481.277g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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