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61417-05-8

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Basic Information
CAS No.: 61417-05-8
Name: N-[4-[(4-Methoxy-9-acridinyl)amino]phenyl]methanesulfonamide
Molecular Structure:
Molecular Structure of 61417-05-8 (N-[4-[(4-Methoxy-9-acridinyl)amino]phenyl]methanesulfonamide)
Formula: C21H19N3O3S
Molecular Weight: 393.49
Density: 1.398g/cm3
Boiling Point: 583°Cat760mmHg
Flash Point: 306.4°C
Safety: Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFONATES.
PSA: 88.70000
LogP: 5.73850
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Chemistry

Empirical Formula of 4'-(4-Methoxy-9-acridinylamino)methanesulfonanilide (CAS NO.61417-05-8): C21H19N3O3S
Molecular Weight: 393.4589 
Index of Refraction: 1.722
Density: 1.398 g/cm3
Flash Point: 306.4 °C
Enthalpy of Vaporization: 87.15 kJ/mol
Boiling Point: 583 °C at 760 mmHg
Vapour Pressure: 1.39E-13 mmHg at 25 °C
Structure of 4'-(4-Methoxy-9-acridinylamino)methanesulfonanilide (CAS NO.61417-05-8):
                        
IUPAC Name: N-[4-[(4-Methoxyacridin-9-yl)amino]phenyl]methanesulfonamide
Canonical SMILES: COC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)NS(=O)(=O)C
InChI: InChI=1S/C21H19N3O3S/c1-27-19-9-5-7-17-20(16-6-3-4-8-18(16)23-21(17)19)22-14-10-12-15(13-11-14)24-28(2,25)26/h3-13,24H,1-2H3,(H,22,23)
InChIKey: CIVJRNPJGJLWEV-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 43 µmol/L

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

Safety Profile

Mutation data reported. When heated to decomposition 4'-(4-Methoxy-9-acridinylamino)methanesulfonanilide (CAS NO.61417-05-8) emits very toxic fumes of NOx and SOx. See also SULFONATES.

Specification

 4'-(4-Methoxy-9-acridinylamino)methanesulfonanilide , its cas register number is 61417-05-8. It also can be called BRN 0456687 ; and Methanesulfonanilide, 4'-((4-methoxy-9-acridinyl)amino)- .