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CAS No.: | 610-51-5 |
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Name: | 4-methylacridine |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C14H11N |
Molecular Weight: | 193.248 |
Synonyms: | Acridine,5-methyl- (3cl);4-Methylakridine;4-methylacridine; |
EINECS: | 210-226-3 |
Density: | 1.155 g/cm3 |
Melting Point: | 114 °C |
Boiling Point: | 361.9 °C at 760 mmHg |
Flash Point: | 160 °C |
PSA: | 12.89000 |
LogP: | 3.69640 |
The Acridine, 4-methyl-, with the CAS registry number 610-51-5, is also known as Acridine,5-methyl- (3cl). Its EINECS number is 210-226-3. This chemical's molecular formula is C14H11N and molecular weight is 193.24. What's more, its systematic name is 4-methylacridine. Its classification code is Drug/Therapeutic Agent.
Physical properties of Acridine, 4-methyl- are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 144.3; (6)ACD/BCF (pH 7.4): 489.87; (7)ACD/KOC (pH 5.5): 856.06; (8)ACD/KOC (pH 7.4): 2906.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 64.85 cm3; (15)Molar Volume: 167.1 cm3; (16)Polarizability: 25.71×10-24 cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.155 g/cm3; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 58.38 kJ/mol; (21)Boiling Point: 361.9 °C at 760 mmHg; (22)Vapour Pressure: 4.19E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES:n1c3c(cc2c1cccc2)cccc3C
(2)InChI: InChI=1/C14H11N/c1-10-5-4-7-12-9-11-6-2-3-8-13(11)15-14(10)12/h2-9H,1H3
(3)InChIKey: SKLZCRNUJKGGRW-UHFFFAOYAR
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 200mg/kg (200mg/kg) | British Journal of Experimental Pathology. Vol. 28, Pg. 1, 1947. |