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744219-43-0

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Basic Information
CAS No.: 744219-43-0
Name: tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate
Article Data: 4
Molecular Structure:
Molecular Structure of 744219-43-0 (tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate)
Formula: C16H22N4O2
Molecular Weight: 302.376
Synonyms: 6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-1H-indazole;tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate;
Density: 1.231 g/cm3
Boiling Point: 482.9 °C at 760 mmHg
Flash Point: 245.8 °C
PSA: 61.46000
LogP: 2.62290
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Specification

The tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate with the cas number 744219-43-0 is also called 6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-1H-indazole. The systematic name is 1-piperazinecarboxylic acid, 4-(1H-indazol-6-yl)-, 1,1-dimethylethyl ester. Its molecular formula is C16H22N4O2.

The properties of the chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 12.72; (6)ACD/BCF (pH 7.4): 15.18; (7)ACD/KOC (pH 5.5): 204.21; (8)ACD/KOC (pH 7.4): 243.74; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.46 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 85.2 cm3; (15)Molar Volume: 245.6 cm3; (16)Polarizability: 33.77×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Enthalpy of Vaporization: 74.79 kJ/mol; (19)Vapour Pressure: 1.76×10-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3cn[nH]c3c2
(2)InChI: InChI=1/C16H22N4O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)13-5-4-12-11-17-18-14(12)10-13/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)
(3)InChIKey: HYKLCBVCBVKEDJ-UHFFFAOYAP