Name: 1-BOC-6-AMINO-INDAZOLE
SKU: 219503-81-8

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Basic Information

Molecular Structure:
CAS No.:	219503-81-8
Name:	1-BOC-6-AMINO-INDAZOLE
Article Data:	6

Formula:	C₁₂H₁₅N₃O₂
Molecular Weight:	233.27
Synonyms:	tert-Butyl6-amino-1H-indazole-1-carboxylate;
Density:	1.24g/cm³
Melting Point:	171-172℃
Boiling Point:	395.3 °C at 760 mmHg
Flash Point:	192.8 °C
Solubility:	Slightlysoluble in water.
PSA:	70.14000
LogP:	2.98290

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Specification

The 1H-Indazole-1-carboxylicacid, 6-amino-, 1,1-dimethylethyl ester, with CAS registry number 219503-81-8, belongs to the following product categories: (1)Building Blocks; (2)Indazole. It has the systematic name of tert-butyl 6-amino-1H-indazole-1-carboxylate. Besides this, it is also called 1-Boc-6-amino-indazole. And the chemical formula of this chemical is C₁₂H₁₅N₃O₂.

Physical properties of 1H-Indazole-1-carboxylicacid, 6-amino-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.31; (6)ACD/BCF (pH 7.4): 14.32; (7)ACD/KOC (pH 5.5): 233.75; (8)ACD/KOC (pH 7.4): 233.94; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.14 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 63.89 cm³; (15)Molar Volume: 187.6 cm³; (16)Polarizability: 25.32×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 192.8 °C; (20)Enthalpy of Vaporization: 64.54 kJ/mol; (21)Boiling Point: 395.3 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)n2ncc1ccc(N)cc12
(2)InChI: InChI=1/C12H15N3O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,13H2,1-3H3
(3)InChIKey: ZUBZKAXFZUIBQY-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,13H2,1-3H3
(5)Std. InChIKey: ZUBZKAXFZUIBQY-UHFFFAOYSA-N