Name: 2-Ethoxy-6-nitro-9-acridinamine
SKU: 20304-70-5

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Basic Information

Molecular Structure:
CAS No.:	20304-70-5
Name:	2-Ethoxy-6-nitro-9-acridinamine
Article Data:	6

Formula:	C1₅H₁₃N₃O₃
Molecular Weight:	283.287
Synonyms:	2-Ethoxy-6-nitro-9-aminoacridine;2-ethoxy-6-nitro-acridin-9-amine;
Density:	1.378 g/cm³
Melting Point:	310℃
Boiling Point:	531.2 °C at 760 mmHg
Flash Point:	275 °C
PSA:	94.69000
LogP:	3.73040

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Specification

The 5-Amino-2-nitro-7-ethoxyacridine, with the CAS registry number 20304-70-5, is also known as 2-Ethoxy-6-nitro-9-acridinamine and 2-Ethoxy-6-nitro-9-aminoacridine. This chemical's molecular formula is C1₅H₁₃N₃O₃ and molecular weight is 283.282. What's more, both its IUPAC name and systematic name are the same which is called 2-Ethoxy-6-nitroacridin-9-amine. And the classification code is drug / therapeutic agent.

Physical properties about 5-Amino-2-nitro-7-ethoxyacridine are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 1.85; (6)ACD/BCF (pH 7.4): 48.45; (7)ACD/KOC (pH 5.5): 18.81; (8)ACD/KOC (pH 7.4): 491.4; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 71.18Å²; (13)Index of Refraction: 1.731; (14)Molar Refractivity: 82.12 cm³; (15)Molar Volume: 205.5; (16)Polarizability: 32.55×10^-24cm³; (17)Surface Tension: 66.4 Dyne/cm; (18) Density: 1.378 g/cm³; (19)Flash Point:275 °C; (20)Enthalpy of Vaporization: 80.66 kJ/mol; (21)Boiling Point: 531.2 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-11mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc1c(c3c(nc1c2)ccc(OCC)c3)N
(2) InChI: InChI=1/C15H13N3O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3,(H2,16,17)
(3) InChIKey: NDKYICANXPTKKC-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	110mg/kg (110mg/kg)		British Journal of Experimental Pathology. Vol. 28, Pg. 1, 1947.