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Name |
1,3,4-Oxadiazol-2-amine,5-(4-methoxyphenyl)- |
EINECS | N/A |
CAS No. | 5711-61-5 | Density | 1.272g/cm3 |
PSA | 74.17000 | LogP | 1.90860 |
Solubility | N/A | Melting Point |
245-249℃ |
Formula | C9H9N3O2 | Boiling Point | 368 °C at 760 mmHg |
Molecular Weight | 191.189 | Flash Point | 176.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
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); |
Article Data | 38 |
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