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The 3-Pyridinamine,6-butoxy-, with the CAS registry number 539-23-1, is also known as 3-Amino-6-butoxypyridine. This chemical's molecular formula is C9H14N2O and molecular weight is 166.2203. What's more, its systematic name is called 6-Butoxypyridin-3-amine. Its classification code is Drug/Therapeutic Agent.
Physical properties about 3-Pyridinamine,6-butoxy- are: (1)ACD/LogP: 2.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 20.12; (6)ACD/BCF (pH 7.4): 21.84; (7)ACD/KOC (pH 5.5): 291.46; (8)ACD/KOC (pH 7.4): 316.35; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 25.36 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 49.15 cm3; (15)Molar Volume: 158.4 cm3; (16)Polarizability: 19.48×10-24 cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 133.5 °C; (20)Enthalpy of Vaporization: 53.7 kJ/mol; (21)Boiling Point: 297.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00137 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ncc(cc1)N)CCCC
(2) InChI: InChI=1/C9H14N2O/c1-2-3-6-12-9-5-4-8(10)7-11-9/h4-5,7H,2-3,6,10H2,1H3
(3) InChIKey: DAFKCYYRSZSMAJ-UHFFFAOYAA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 500mg/kg (500mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947. | |
mouse | LD50 | subcutaneous | 500mg/kg (500mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947. |