IUPAC Name: N-[4-[(3-aminoacridin-9-yl)amino]phenyl]methanesulfonamide
Synonyms of 4'-((3-Amino-9-acridinyl)amino)methanesulfonanilide (CAS NO.58658-27-8): Methanesulfonanilide, 4'-((3-amino-9-acridinyl)amino)-
CAS NO: 58658-27-8
Molecular Formula: C20H18N4O2S
Molecular Weight: 378.4475
Molecular Structure:
H bond acceptors: 6
H bond donors: 4
Freely Rotating Bonds: 4
Polar Surface Area: 65.13 Å2
Index of Refraction: 1.777
Molar Refractivity: 108.73 cm3
Molar Volume: 259.6 cm3
Surface Tension: 77.4 dyne/cm
Density: 1.457 g/cm3
Flash Point: 323.9 °C
Enthalpy of Vaporization: 90.86 kJ/mol
Boiling Point: 612 °C at 760 mmHg
Vapour Pressure: 6.47E-15 mmHg at 25°C
InChI: InChI=1/C20H18N4O2S/c1-27(25,26)24-15-9-7-14(8-10-15)22-20-16-4-2-3-5-18(16)23-19-12-13(21)6-11-17(19)20/h2-12,24H,21H2,1H3,(H,22,23)InChIKey: CQFJFCMYVJHOHE-UHFFFAOYAC
Std. InChI: InChI=1S/C20H18N4O2S/c1-27(25,26)24-15-9-7-14(8-10-15)22-20-16-4-2-3-5-18(16)23-19-12-13(21)6-11-17(19)20/h2-12,24H,21H2,1H3,(H,22,23)
Std. InChIKey: CQFJFCMYVJHOHE-UHFFFAOYSA-N
1. | mmo-sat 209 µmol/L | JMCMAR Journal of Medicinal Chemistry. 23 (1980),269. |
Mutation data reported. See also SULFONATES and AMINES. When 4'-((3-Amino-9-acridinyl)amino)methanesulfonanilide (CAS NO.58658-27-8) is heated to decomposition, it emits very toxic fumes of NOx and SOx.
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