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478832-10-9

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Basic Information
CAS No.: 478832-10-9
Name: 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine
Article Data: 4
Molecular Structure:
Molecular Structure of 478832-10-9 (1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine)
Formula: C12H15N3O
Molecular Weight: 217.271
Synonyms: 1H-Indazol-5-amine, 1-(tetrahydro-2H-pyran-2-yl)-;
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 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine, with the CAS registry number 478832-10-9, is also known as 1H-Indazol-5-amine, 1-(tetrahydro-2H-pyran-2-yl)-. This chemical's molecular formula is C12H15N3O and molecular weight is 217.27. What's more, its systematic name is 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine.

Physical properties about 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine are: (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)ACD/BCF (pH 5.5): 2.22; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 61.27; (8)ACD/KOC (pH 7.4): 62.28; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.07 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 60.51 cm3; (15)Molar Volume: 159 cm3; (16)Polarizability: 23.98×10-24 cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 213.1 °C; (20)Enthalpy of Vaporization: 68.38 kJ/mol; (21)Boiling Point: 428.7 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc2cc3cnn(C1CCCCO1)c3cc2
(2) InChI: InChI=1S/C12H15N3O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
(3) InChIKey: MMBUQRHOEINQHO-UHFFFAOYSA-N