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138219-63-3 | Quinolinium, 1-docosyl-4-methyl-, bromide (1:1)
CAS No: 138219-63-3 Catalog No: AG0018BP MDL No:
Product Description
Catalog Number:
AG0018BP
Chemical Name:
Quinolinium, 1-docosyl-4-methyl-, bromide (1:1)
CAS Number:
138219-63-3
Molecular Formula:
C32H54BrN
Molecular Weight:
532.6819
IUPAC Name:
1-docosyl-4-methylquinolin-1-ium;bromide
InChI:
InChI=1S/C32H54N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-28-33-29-27-30(2)31-25-22-23-26-32(31)33;/h22-23,25-27,29H,3-21,24,28H2,1-2H3;1H/q+1;/p-1
InChI Key:
XYKVMSRBINSSLE-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCCCCC[n+]1ccc(c2c1cccc2)C.[Br-]
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.344g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.695g/mol
Monoisotopic Mass:
531.344g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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