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Methanesulfonamide, N-[4-[ (3, 4-dimethyl-9-acridinyl)amino]phenyl]-, monohydrochloride (9CI) (MF1) N-{4-[(3,4-dimethylacridin-9-yl)amino]phenyl}methanesulfonamide 53251-28-8
Identification and Related Records
【Name】
N-{4-[(3,4-dimethylacridin-9-yl)amino]phenyl}methanesulfonamide
【Iupac name】
N-[4-[(3,4-dimethylacridin-9-yl)amino]phenyl]methanesulfonamide
hydrochloride
【CAS Registry number】
53251-28-8
【Synonyms】
methanesulfonamide, N-[4-[(3,4-dimethyl-9-acridinyl)amino]phenyl]-
【Molecular Formula】
C22H21N3O2S (Products with the same molecular formula)
【Molecular Weight】
391.486
【Inchi】
InChI=1/C22H21N3O2S/c1-14-8-13-19-21(15(14)2)24-20-7-5-4-6-18(20)22(19)23-16-9-11-17(12-10-16)25-28(3,26)27/h4-13,25H,1-3H3,(H,23,24)
【Canonical SMILES】
CC1=C(C2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)NS(=O)(=O)C)C.Cl
【MOL File】
53251-28-8.mol
Chemical and Physical Properties
【Density】
1.35g/cm3
【Boiling Point】
581.2°C at 760 mmHg
【Refractive Index】
1.718
【Flash Point】
305.3°C
【Computed Properties】
Molecular Weight:427.94698 [g/mol]
Molecular Formula:C22H22ClN3O2S
H-Bond Donor:3
H-Bond Acceptor:5
Rotatable Bond Count:4
Tautomer Count:15
Exact Mass:427.112125
MonoIsotopic Mass:427.112125
Topological Polar Surface Area:79.5
Heavy Atom Count:29
Formal Charge:0
Complexity:626
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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