4-Amino-1-(tetrahydropyranyl)-1H-indazole supplier

Name
4-Amino-1-(tetrahydropyranyl)-1H-indazole
EINECS
CAS No. 1053655-57-4
Article Data4
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅N₃O
Boiling Point 428.7 °C at 760 mmHg
Molecular Weight 217.271
Flash Point 213.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(Tetrahydro-pyran-2-yl)-1H-indazol-4-ylamine;
PSA 53.07000
LogP 2.89880

4-Amino-1-(tetrahydropyranyl)-1H-indazole 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

Product Name

4-Amino-1-(tetrahydropyranyl)-1H-indazole

4-Amino-1-(tetrahydropyranyl)-1H-indazole Specification

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