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1053655-57-4

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Basic Information
CAS No.: 1053655-57-4
Name: 4-Amino-1-(tetrahydropyranyl)-1H-indazole
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 1053655-57-4 (4-Amino-1-(tetrahydropyranyl)-1H-indazole)
Formula: C12H15N3O
Molecular Weight: 217.271
Synonyms: 1-(Tetrahydro-pyran-2-yl)-1H-indazol-4-ylamine;
Density: 1.36 g/cm3
Boiling Point: 428.7 °C at 760 mmHg
Flash Point: 213.1 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 53.07000
LogP: 2.89880
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Specification

The 4-Amino-1-(tetrahydropyranyl)-1H-indazole, with the CAS registry number 1053655-57-4, is also known as 1H-Indazol-4-amine, 1-(tetrahydro-2H-pyran-2-yl)-. Its molecular formula is  C12H15N3O and its IUPAC name is 1-(oxan-2-yl)indazol-4-amine. Moreover, its molecular weight is 217.27.

Other characteristics of the 4-Amino-1-(tetrahydropyranyl)-1H-indazole can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.77 ; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 53.07 Å2; (9)Index of Refraction: 1.686; (10)Molar Refractivity: 60.51 cm3; (11)Molar Volume: 159 cm3; (12)Polarizability: 23.98×10-24cm3; (13)Surface Tension: 55.2 dyne/cm; (14)Density: 1.36 g/cm3; (15)Flash Point: 213.1 °C; (16)Enthalpy of Vaporization: 68.38 kJ/mol; (17)Boiling Point: 428.7 °C at 760 mmHg; (18)Vapour Pressure: 1.49E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Nc1cccc2n(ncc12)C3CCCCO3
2.InChI: InChI=1/C12H15N3O/c13-10-4-3-5-11-9(10)8-14-15(11)12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7,13H2
3.InChIKey: VXUKYBXQNXUXQM-UHFFFAOYAY