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Name	C-666	EINECS	N/A
CAS No.	20064-38-4	Density	N/A
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₁₈H₂₀N₄O₃•2ClH	Boiling Point	575.4°C at 760 mmHg
Molecular Weight	413.34	Flash Point	301.8°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NO_x and HCl. See also AMINES.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N/A

C-666 Chemical Properties

Molecule structure of C-666 (CAS NO.20064-38-4) :

IUPAC Name: N',N'-Dimethyl-N-(1-nitro-10-oxido-1H-acridin-9-yl)propane-1,3-diamine dihydrochloride
Molecular Weight: 414.30622 g/mol
Molecular Formula: C₁₈H₂₃Cl₂N₄O₃^-
Boiling Point: 575.4 °C at 760 mmHg
Flash Point: 301.8 °C
Enthalpy of Vaporization: 90.66 kJ/mol
Vapour Pressure: 4.43E-14 mmHg at 25 °C
Classification Code: Drug / Therapeutic Agent
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 413.114721
MonoIsotopic Mass: 413.114721
Topological Polar Surface Area: 84.7
Heavy Atom Count: 27
Formal Charge: -1
Complexity: 606
Canonical SMILES: CN(C)CCCNC1=C2C(C=CC=C2N(C3=CC=CC=C31)[O-])[N+](=O)[O-].Cl.Cl
InChI: InChI=1S/C18H21N4O3.2ClH/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25;;/h3-5,7-10,16,19H,6,11-12H2,1-2H3;2*1H/q-1;;
InChIKey of C-666 (CAS NO.20064-38-4): RCGRRYWHIQRNQI-UHFFFAOYSA-N

C-666 Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	9mg/kg (9mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Materia Medica Polona Vol. 8, Pg. 252, 1976.
mouse	LD50	oral	108mg/kg (108mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Materia Medica Polona Vol. 8, Pg. 252, 1976.
pigeon	LD50	intravenous	9000ug/kg (9mg/kg)		Archivum Immunologiae et Therapiae Experimentalis. Vol. 28, Pg. 777, 1980.
rat	LD50	intravenous	5400ug/kg (5.4mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Materia Medica Polona Vol. 8, Pg. 252, 1976.
rat	LD50	oral	110mg/kg (110mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Materia Medica Polona Vol. 8, Pg. 252, 1976.

C-666 Safety Profile

Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NO_x and HCl.

C-666 Specification

C-666 (CAS NO.20064-38-4) is also named as 1-Nitro-9-(3-dimethylaminopropylamine)-acridine, N(sup 10)-oxide dihydrochloride ; NSC 295502 ; 1,3-Propanediamine, N,N-dimethyl-N'-(1-nitro-9-acridinyl)-, N-oxide, dihydrochloride (9CI) ; Acridine, 9-((3-(dimethylamino)propyl)amino)-1-nitro-, 10-oxide, dihydrochloride .

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