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Basic Information
CAS No.: 63710-43-0
Name: 1-nitro-9-(3-isopropylaminopropylamino)acridine
Molecular Structure:
Molecular Structure of 63710-43-0 (1-nitro-9-(3-isopropylaminopropylamino)acridine)
Formula: C19H22N4O2•2ClH
Molecular Weight: 411.37
Density: 1.235g/cm3
Boiling Point: 544.4oC at 760 mmHg
Flash Point: 283oC
Safety: A poison by ingestion and intravenous routes. Human mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and HCl.
PSA: 82.77000
LogP: 5.88530
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Chemistry

Empirical Formula of C 846 (CAS NO.63710-43-0): C19H24Cl2N4O2
Molecular Weight: 411.3255 
Flash Point: 283 °C
Enthalpy of Vaporization: 82.3 kJ/mol
Boiling Point: 544.4 °C at 760 mmHg
Vapour Pressure: 6.54E-12 mmHg at 25 °C 
Structure of C 846 (CAS NO.63710-43-0):
                  
IUPAC Name: N-(1-Nitroacridin-9-yl)-N'-propan-2-ylpropane-1,3-diamine dihydrochloride
Canonical SMILES: CC(C)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl.Cl
InChI: InChI=1S/C19H22N4O2.2ClH/c1-13(2)20-11-6-12-21-19-14-7-3-4-8-15(14)22-16-9-5-10-17(18(16)19)23(24)25;;/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,21,22);2*1H
InChIKey: KRDUNVZPMFQJBJ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

dnd-hmn:hla 2500 nmol/L

     CBINA8    Chemico-Biological Interactions. 49 (1984),311.
2.    

dns-hmn:hla 1 µmol/L

     CBINA8    Chemico-Biological Interactions. 49 (1984),311.
3.    

dni-hmn:hla 30 nmol/L

     BBACAQ    Biochimica et Biophysica Acta. 825 (1985),244.
4.    

sce-hmn:lym 80 nmol/L/69H

     MUREAV    Mutation Research. 67 (1979),93.
5.    

orl-rat LD50:127 mg/kg

     AITEAT    Archivum Immunologiae et Therapiae Experimentalis. 28 (1980),735.
6.    

ivn-rat LD50:900 µg/kg

     MMDPA6    Materia Medica Polona (English Edition). 8 (1976),252.
7.    

orl-mus LD50:126 mg/kg

     AITEAT    Archivum Immunologiae et Therapiae Experimentalis. 28 (1980),735.
8.    

ivn-mus LD50:2 mg/kg

     AITEAT    Archivum Immunologiae et Therapiae Experimentalis. 28 (1980),735.
9.    

ivn-pgn LD50:2100 µg/kg

     AITEAT    Archivum Immunologiae et Therapiae Experimentalis. 28 (1980),777.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

A poison by ingestion and intravenous routes. Human mutation data reported. When heated to decomposition C 846 (CAS NO.63710-43-0) emits very toxic fumes of NOx and HCl.

Specification

 C 846 , its cas register number is 63710-43-0. It also can be called 1-Nitro-9-(3-isopropylaminopropylamine)-acridine dihydrochloride ; Aminoacridine C846 ; N-Isopropyl-N'-(1-nitro-9-acridinyl)-1,3-propanediamine ; and 9-((3-(Isopropylamino)propyl)amino)-1-nitroacridine dihydrochloride .