Name: tert-Butyl 4-(1H-indazol-3-yl)piperazine-1-carboxylate
SKU: 947498-81-9

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Basic Information

Molecular Structure:
CAS No.:	947498-81-9
Name:	tert-Butyl 4-(1H-indazol-3-yl)piperazine-1-carboxylate
Article Data:	2

Formula:	C₁₆H₂₂N₄O₂
Molecular Weight:	302.37
Synonyms:	tert-Butyl4-(1H-indazol-3-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-3-yl)piperazine-1-carboxylate, with the cas registry number of 947498-81-9, is also known as 1-Piperazinecarboxylic acid, 4-(1H-indazol-3-yl)-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₁₆H₂₂N₄O₂ and formula weight is 302.37. What's more, its systematic name is called 1-Piperazinecarboxylic acid, 4-(1H-indazol-3-yl)-, 1,1-dimethylethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 12.5; (6)ACD/BCF (pH 7.4): 15.18; (7)ACD/KOC (pH 5.5): 200.61; (8)ACD/KOC (pH 7.4): 243.67; (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)Surface Tension: 55.7 dyne/cm; (17)Density: 1.231 g/cm³; (18)Flash Point: 245.8 °C; (19)Enthalpy of Vaporization: 74.79 kJ/mol; (20)Boiling Point: 482.9 °C at 760 mmHg; (21)Vapour Pressure: 1.76E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2c3ccccc3[nH]n2; (2)InChI: InChI=1/C16H22N4O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)14-12-6-4-5-7-13(12)17-18-14/h4-7H,8-11H2,1-3H3,(H,17,18);
(3)InChIKey: WEOVGDITYLKKSN-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)14-12-6-4-5-7-13(12)17-18-14/h4-7H,8-11H2,1-3H3,(H,17,18);
(5)Std. InChIKey: WEOVGDITYLKKSN-UHFFFAOYSA-N.