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26187-16-6 | Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[[2-(nonyloxy)benzoyl]amino]benzoyl]oxy]-, bromide (1:1)
CAS No: 26187-16-6 Catalog No: AG002S4J MDL No:
Product Description
Catalog Number:
AG002S4J
Chemical Name:
Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[[2-(nonyloxy)benzoyl]amino]benzoyl]oxy]-, bromide (1:1)
CAS Number:
26187-16-6
Molecular Formula:
C30H45BrN2O4
Molecular Weight:
577.5933
IUPAC Name:
diethyl-methyl-[2-[4-[(2-nonoxybenzoyl)amino]benzoyl]oxyethyl]azanium;bromide
InChI:
InChI=1S/C30H44N2O4.BrH/c1-5-8-9-10-11-12-15-23-35-28-17-14-13-16-27(28)29(33)31-26-20-18-25(19-21-26)30(34)36-24-22-32(4,6-2)7-3;/h13-14,16-21H,5-12,15,22-24H2,1-4H3;1H
InChI Key:
WVBVSBYZWUVPMZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)OCC[N+](CC)(CC)C.[Br-]
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.256g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
577.604g/mol
Monoisotopic Mass:
576.256g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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