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101122-64-9 | 1,12-Dodecanediaminium, N1,N1,N1,N12,N12,N12-hexaethyl-, bromide (1:2)
CAS No: 101122-64-9 Catalog No: AG0003RY MDL No:
Product Description
Catalog Number:
AG0003RY
Chemical Name:
1,12-Dodecanediaminium, N1,N1,N1,N12,N12,N12-hexaethyl-, bromide (1:2)
CAS Number:
101122-64-9
Molecular Formula:
C24H54Br2N2
Molecular Weight:
530.5070
IUPAC Name:
triethyl-[12-(triethylazaniumyl)dodecyl]azanium;dibromide
InChI:
InChI=1S/C24H54N2.2BrH/c1-7-25(8-2,9-3)23-21-19-17-15-13-14-16-18-20-22-24-26(10-4,11-5)12-6;;/h7-24H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
ZPGQJMZSOYWJQD-UHFFFAOYSA-L
SMILES:
CC[N+](CCCCCCCCCCCC[N+](CC)(CC)CC)(CC)CC.[Br-].[Br-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.263g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.518g/mol
Monoisotopic Mass:
528.265g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Correlation of antifungal activity with fungal phospholipase inhibition using a series of bisquaternary ammonium salts. | Journal of medicinal chemistry 20060126 |
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