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1053655-59-6

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Basic Information
CAS No.: 1053655-59-6
Name: 1-(Tetrahydro-pyran-2-yl)-1H-indazol-6-ylamine
Molecular Structure:
Molecular Structure of 1053655-59-6 (1-(Tetrahydro-pyran-2-yl)-1H-indazol-6-ylamine)
Formula: C12H15N3O
Molecular Weight: 217.271
Synonyms: 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine;6-Amino-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole;
EINECS: 604-604-1
Density: 1.36 g/cm3
Boiling Point: 428.7 °C at 760 mmHg
Flash Point: 213.1 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 53.07000
LogP: 2.89880
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Specification

This chemical is called 1H-Indazol-6-amine,1-(tetrahydro-2H-pyran-2-yl)-, and its systematic name is 1-Tetrahydropyran-2-ylindazol-6-amine. With the molecular formula of C12H15N3O, its molecular weight is 217.27. The CAS registry number of the chemical is 1053655-59-6. 

Other characteristics of 1H-Indazol-6-amine,1-(tetrahydro-2H-pyran-2-yl)- 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: Nc2ccc3cnn(C1CCCCO1)c3c2
2.InChI: InChI=1/C12H15N3O/c13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
3.InChIKey: BVMGAUOJVUEFSV-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C12H15N3O/c13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
5.Std. InChIKey: BVMGAUOJVUEFSV-UHFFFAOYSA-N