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562858-09-7

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Basic Information
CAS No.: 562858-09-7
Name: 2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Molecular Structure:
Molecular Structure of 562858-09-7 (2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER)
Formula: C7H9F3N4S
Molecular Weight: 238.23
Synonyms: 1-(5-Trifluoromethyl[1,3,4]thiadiazol-2-yl)piperazine;
Density: 1.425 g/cm3
Boiling Point: 273 °C at 760 mmHg
Flash Point: 118.9 °C
PSA: 69.29000
LogP: 1.36030
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Specification

The cas register number of 1-(5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl)piperazine is 562858-09-7. It also can be called as Piperazine,1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]- and the Systematic name about this chemical is 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine. It belongs to the harmacetical.

Physical properties about 1-(5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl)piperazine are: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): -1.06; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.33; (7)ACD/KOC (pH 7.4): 29.13; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 60.5Å2; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 49.35 cm3; (14)Molar Volume: 167.1 cm3; (15)Polarizability: 19.56x10-24cm3; (16)Surface Tension: 42.5 dyne/cm; (17)Enthalpy of Vaporization: 51.13 kJ/mol; (18)Boiling Point: 273 °C at 760 mmHg; (19)Vapour Pressure: 0.0059 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nnc(s1)N2CCNCC2
(2)InChI: InChI=1/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2
(3)InChIKey: HCHPSOYHPOLYCC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H9F3N4S/c8-7(9,10)5-12-13-6(15-5)14-3-1-11-2-4-14/h11H,1-4H2
(5)Std. InChIKey: HCHPSOYHPOLYCC-UHFFFAOYSA-N