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CAS No.: | 5711-61-5 |
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Name: | 2-AMINO-5-(4-METHOXYPHENYL)-1,3,4-OXADIAZOLE |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C9H9N3O2 |
Molecular Weight: | 191.189 |
Synonyms: | 2-Amino-5-p-anisyl-1,3,4-oxadiazole;5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine;1,3,4-Oxadiazole,2-amino-5-(p-methoxyphenyl)- (6CI,7CI,8CI); |
Density: | 1.272g/cm3 |
Melting Point: | 245-249℃ |
Boiling Point: | 368 °C at 760 mmHg |
Flash Point: | 176.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 74.17000 |
LogP: | 1.90860 |
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The 1,3,4-Oxadiazol-2-amine,5-(4-methoxyphenyl)-, with CAS registry number 5711-61-5, belongs to the following product categories: (1)Amines; (2)Oxadiazoles & Thiadiazoles. It has the systematic name of 5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine. And the chemical formula of this chemical is C9H9N3O2.
Physical properties of 1,3,4-Oxadiazol-2-amine,5-(4-methoxyphenyl)-: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.88; (6)ACD/BCF (pH 7.4): 9.88; (7)ACD/KOC (pH 5.5): 179.39; (8)ACD/KOC (pH 7.4): 179.39; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.39 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 50.24 cm3; (15)Molar Volume: 150.2 cm3; (16)Polarizability: 19.91×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 176.3 °C; (20)Enthalpy of Vaporization: 61.46 kJ/mol; (21)Boiling Point: 368 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1nc(oc1c2ccc(OC)cc2)N
(2)InChI: InChI=1/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
(3)InChIKey: IEJVXWOVBNWQCY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
(5)Std. InChIKey: IEJVXWOVBNWQCY-UHFFFAOYSA-N