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768-29-6

Basic Information
CAS No.: 768-29-6
Name: 1,3,4-Oxadiazol-2-amine,5-(trifluoromethyl)-
Molecular Structure:
Molecular Structure of 768-29-6 (1,3,4-Oxadiazol-2-amine,5-(trifluoromethyl)-)
Formula: C3H2F3N3O
Molecular Weight: 153.064
Synonyms: 1,3,4-Oxadiazole,2-amino-5-(trifluoromethyl)- (6CI,8CI);(5-Trifluoromethyl-1,3,4-oxadiazol-2-yl)amine;5-(Trifluoromethyl)-1,3,4-oxadiazol-2-amine;2-Amino-5-trifluoromethyl-1,3,4-oxadiazole;
EINECS: N/A
Density: 1.62 g/cm3
Melting Point: 155-160°C
Boiling Point: 145.3 °C at 760 mmHg
Flash Point: 41.7 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: T
Risk Codes: 25
Safety: 45
Transport Information: N/A
PSA: 64.94000
LogP: 1.25180
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Specification

The 1,3,4-Oxadiazol-2-amine,5-(trifluoromethyl)-, with the CAS registry number 768-29-6, is also known as 5-Trifluoromethyl-1,3,4-oxadiazol-2-ylamine. It belongs to the product categories of Amines; Oxadiazoles & Thiadiazoles. This chemical's molecular formula is C3H2F3N3O and molecular weight is 153.06. What's more, its systematic name is 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-amine. 

Physical properties of 1,3,4-Oxadiazol-2-amine,5-(trifluoromethyl)- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.75; (6)ACD/BCF (pH 7.4): 1.75; (7)ACD/KOC (pH 5.5): 51.96; (8)ACD/KOC (pH 7.4): 51.96; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.16 Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 23.95 cm3; (15)Molar Volume: 94.4 cm3; (16)Polarizability: 9.49×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 41.7 °C; (20)Enthalpy of Vaporization: 38.23 kJ/mol; (21)Boiling Point: 145.3 °C at 760 mmHg; (22)Vapour Pressure: 4.89 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=NN=C(O1)N)C(F)(F)F
(2)InChI: InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)
(3)InChIKey: VMBAPDLMDFSJBH-UHFFFAOYSA-N