Molecule structure of 4'-(9-Acridinylamino)-3'-aminomethane sulfonanilide (CAS NO.61417-10-5) :
IUPAC Name: N-[4-(acridin-9-ylamino)-3-aminophenyl]methanesulfonamide
Molecular Weight: 378.44752 g/mol
Molecular Formula: C20H18N4O2S
Density: 1.457 g/cm3
Boiling Point: 576.4 °C at 760 mmHg
Flash Point: 302.4 °C
Molar Volume: 259.6 cm3
Polarizability: 43.1*10-24 cm3
Surface Tension: 77.4 dyne/cm
Enthalpy of Vaporization: 86.32 kJ/mol
Vapour Pressure: 2.74E-13 mmHg at 25 °C
XLogP3-AA: 3.4
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 378.115047
MonoIsotopic Mass: 378.115047
Topological Polar Surface Area: 97.1
Heavy Atom Count: 27
Complexity: 586
Canonical SMILES: CS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)N
InChI: InChI=1S/C20H18N4O2S/c1-27(25,26)24-13-10-11-19(16(21)12-13)23-20-14-6-2-4-8-17(14)22-18-9-5-3-7-15(18)20/h2-12,24H,21H2,1H3,(H,22,23)
InChIKey: MQYNSYYRRLGNQV-UHFFFAOYSA-N
1. | mmo-sat 282 µmol/L | JMCMAR Journal of Medicinal Chemistry. 23 (1980),269. |
Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
4'-(9-Acridinylamino)-3'-aminomethane sulfonanilide (CAS NO.61417-10-5) is also called 5-22-11-00029 (Beilstein Handbook Reference) ; BRN 0452342 ; Methanesulfonanilide, 4'-(9-acridinylamino)-3'-amino- . 4'-(9-Acridinylamino)-3'-aminomethane sulfonanilide (CAS NO.61417-10-5) is toxic. It is flammable. It will produce toxic nitrogen oxide and sulfur oxides fumes by heat. So the storage environment should be ventilate, low-temperature and dry.
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