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3775-61-9

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Basic Information
CAS No.: 3775-61-9
Name: 5-ETHYL-1,3,4-OXADIAZOL-2-YLAMINE
Molecular Structure:
Molecular Structure of 3775-61-9 (5-ETHYL-1,3,4-OXADIAZOL-2-YLAMINE)
Formula: C4H7N3O
Molecular Weight: 113.119
Synonyms: 1,3,4-Oxadiazole,2-amino-5-ethyl- (6CI,7CI,8CI);2-Amino-5-ethyl-1,3,4-oxadiazole;5-Ethyl-1,3,4-oxadiazol-2-amine;5-Ethyl-2-amino-[1,3,4]oxadiazole;NSC 382942;
Density: 1.206 g/cm3
Boiling Point: 235.3 °C at 760 mmHg
Flash Point: 96.1 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 64.94000
LogP: 0.79540
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Specification

The 1,3,4-Oxadiazol-2-amine,5-ethyl- is an organic compound with the formula C4H7N3O. The IUPAC name of this chemical is 5-ethyl-1,3,4-oxadiazol-2-amine. With the CAS registry number 3775-61-9, it is also named as 2-Amino-5-ethyl-1,3,4-oxadiazo.

Physical properties about 1,3,4-Oxadiazol-2-amine,5-ethyl- are: (1)ACD/LogP: -0.37; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15; (5)ACD/KOC (pH 7.4): 15; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 42.16 Å2; (10)Index of Refraction: 1.52; (11)Molar Refractivity: 28.52 cm3; (12)Molar Volume: 93.7 cm3; (13)Polarizability: 11.3×10-24cm3; (14)Surface Tension: 52.1 dyne/cm; (15)Density: 1.206 g/cm3; (16)Flash Point: 96.1 °C; (17)Enthalpy of Vaporization: 47.2 kJ/mol; (18)Boiling Point: 235.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0506 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nc(oc1CC)N
(2)InChI: InChI=1/C4H7N3O/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
(3)InChIKey: XHSTYRIUVMKGDX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H7N3O/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
(5)Std. InChIKey: XHSTYRIUVMKGDX-UHFFFAOYSA-N