CAS No.251540-53-1,2-tert-Butyl-1,3,4-oxadiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	251540-53-1
Name:	2-tert-Butyl-1,3,4-oxadiazole
Article Data:	11

Formula:	C₆H₁₀N₂O
Molecular Weight:	126.158
Synonyms:	2-tert-Butyl-1,3,4-oxadiazole;
Density:	1.006 g/cm³
Boiling Point:	168.4 °C at 760 mmHg
Flash Point:	49.9 °C
PSA:	38.92000
LogP:	1.36710

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Specification

This chemical is called 2-tert-Butyl-1,3,4-oxadiazole, and it can also be named as 1,3,4-oxadiazole, 2-(1,1-dimethylethyl)-. With the molecular formula of C₆H₁₀N₂O, its molecular weight is 126.16. The CAS registry number of this chemical is 251540-53-1.

Other characteristics of the 2-tert-Butyl-1,3,4-oxadiazole can be summarised as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.58; (8)ACD/KOC (pH 7.4): 60.58; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.92 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 33.12 cm³; (15)Molar Volume: 125.3 cm³; (16)Polarizability: 13.13×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 1.006 g/cm³; (19)Flash Point: 49.9 °C; (20)Enthalpy of Vaporization: 38.82 kJ/mol; (21)Boiling Point: 168.4 °C at 760 mmHg; (22)Vapour Pressure: 2.15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1ncoc1C(C)(C)C
2.InChI: InChI=1/C6H10N2O/c1-6(2,3)5-8-7-4-9-5/h4H,1-3H3
3.InChIKey: SETCKKFZFOFBSI-UHFFFAOYAV
4.Std. InChI: InChI=1S/C6H10N2O/c1-6(2,3)5-8-7-4-9-5/h4H,1-3H3