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61417-04-7

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Basic Information
CAS No.: 61417-04-7
Name: N-[4-(1-Methoxy-9-acridinylamino)phenyl]methanesulfonamide
Molecular Structure:
Molecular Structure of 61417-04-7 (N-[4-(1-Methoxy-9-acridinylamino)phenyl]methanesulfonamide)
Formula: C21H19N3O3S
Molecular Weight: 393.49
Density: 1.398g/cm3
Boiling Point: 583°C at 760 mmHg
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: 91.93000
LogP: 5.08740
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Chemistry

IUPAC Name: N-[4-[(1-Methoxyacridin-9-yl)amino]phenyl]methanesulfonamide 
Following is the structure of 4'-(1-Methoxy-9-acridinylamino)methanesulfonanilide (CAS NO.61417-04-7):
                   
Empirical Formula: C21H19N3O3S
Molecular Weight: 393.4589 g/mol
Surface Tension: 65.6 dyne/cm
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
Index of Refraction of 4'-(1-Methoxy-9-acridinylamino)methanesulfonanilide (CAS NO.61417-04-7): 1.722
Canonical SMILES: COC1=CC=CC2=NC3=CC=CC=C3C(=C21)NC4=CC=C(C=C4)NS(=O)(=O)C
InChI: InChI=1S/C21H19N3O3S/c1-27-19-9-5-8-18-20(19)21(16-6-3-4-7-17(16)23-18)22-14-10-12-15(13-11-14)24-28(2,25)26/h3-13,24H,1-2H3,(H,22,23)
InChIKey: KZIJQMWWCAEEKK-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 23 µmol/L

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

Safety Profile

 Mutation data reported. When heated to decomposition, 4'-(1-Methoxy-9-acridinylamino)methanesulfonanilide (CAS NO.61417-04-7) emits very toxic fumes of NOx and SOx. See also SULFONATES.

Specification

 4'-(1-Methoxy-9-acridinylamino)methanesulfonanilide , its cas register number is 61417-04-7. It also can be called  Methanesulfonanilide, 4'-((1-methoxy-9-acridinyl)amino)- . Its classification code are Drug / Therapeutic Agent and Mutation data.