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69220-47-9 | 2-Acridinesulfonamide, 9-amino-7-ethoxy-N,N-diethyl-, monomethanesulfonate
CAS No: 69220-47-9 Catalog No: AG005KKQ MDL No:
Product Description
Catalog Number:
AG005KKQ
Chemical Name:
2-Acridinesulfonamide, 9-amino-7-ethoxy-N,N-diethyl-, monomethanesulfonate
CAS Number:
69220-47-9
Molecular Formula:
C20H27N3O6S2
Molecular Weight:
469.5749
IUPAC Name:
9-amino-7-ethoxy-N,N-diethylacridine-2-sulfonamide;methanesulfonic acid
InChI:
InChI=1S/C19H23N3O3S.CH4O3S/c1-4-22(5-2)26(23,24)14-8-10-18-16(12-14)19(20)15-11-13(25-6-3)7-9-17(15)21-18;1-5(2,3)4/h7-12H,4-6H2,1-3H3,(H2,20,21);1H3,(H,2,3,4)
InChI Key:
XSKWGGSFCUZFBL-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CCOc1ccc2c(c1)c(N)c1c(n2)ccc(c1)S(=O)(=O)N(CC)CC
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.134g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
469.571g/mol
Monoisotopic Mass:
469.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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