This chemical is called 4-Acridinamine, and it can also be named as 4-Aminoacridine. With the molecular formula of C13H10N2, its molecular weight is 194.23. The CAS registry number of this chemical is 578-07-4.
Other characteristics of the 4-Acridinamine can be summarised as follows: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.26; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 38.91 Å2; (9)Index of Refraction: 1.78; (10)Molar Refractivity: 64.26 cm3; (11)Molar Volume: 153.1 cm3; (12)Polarizability: 25.47×10-24 cm3; (13)Surface Tension: 65 dyne/cm; (14)Density: 1.268 g/cm3; (15)Flash Point: 237.2 °C; (16)Enthalpy of Vaporization: 67.36 kJ/mol; (17)Boiling Point: 419.8 °C at 760 mmHg; (18)Vapour Pressure: 2.95E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc2cccc1cc3ccccc3nc12
2.InChI: InChI=1/C13H10N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8H, 14H2
3.InChIKey: QWAGALBSTFENEE-UHFFFAOYAY
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
mouse | LD50 | subcutaneous | 910mg/kg (910mg/kg) | | British Journal of Experimental Pathology. Vol. 28, Pg. 1, 1947. |
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