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61417-10-5

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Basic Information
CAS No.: 61417-10-5
Name: N-[3-Amino-4-[(acridine-9-yl)amino]phenyl]methanesulfonamide
Molecular Structure:
Molecular Structure of 61417-10-5 (N-[3-Amino-4-[(acridine-9-yl)amino]phenyl]methanesulfonamide)
Formula: C20H18N4O2S
Molecular Weight: 378.48
Density: 1.457g/cm3
Boiling Point: 576.4°Cat760mmHg
Flash Point: 302.4°C
Safety: Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 108.72000
LogP: 5.24220
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Chemistry

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

Toxicity Data With Reference

1.    

mmo-sat 282 µmol/L

     JMCMAR    Journal of Medicinal Chemistry. 23 (1980),269.

Safety Profile

Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

 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.