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1048914-02-8

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Basic Information
CAS No.: 1048914-02-8
Name: 3-ethynyl-5-(trifluoromethyl)-2-pyridinylamine
Molecular Structure:
Molecular Structure of 1048914-02-8 (3-ethynyl-5-(trifluoromethyl)-2-pyridinylamine)
Formula: C8H5F3N2
Molecular Weight: 186.1339
Synonyms: 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine;2-pyridinamine, 3-ethynyl-5-(trifluoromethyl)-;3-ethynyl-5-(trifluoromethyl)pyridin-2-amine;
Density: 1.36 g/cm3
Melting Point: 105-106°
Boiling Point: 244.8 °C at 760 mmHg
Flash Point: 101.9 °C
PSA: 38.91000
LogP: 2.24510
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Specification

The 2-Pyridinamine,3-ethynyl-5-(trifluoromethyl)-, with the CAS registry number 1048914-02-8, has the systematic name of 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine. And the molecular formula of this chemical is C8H5F3N2. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 2-Pyridinamine,3-ethynyl-5-(trifluoromethyl)- are as following: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81 ; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 38.91 Å2; (9)Index of Refraction: 1.502; (10)Molar Refractivity: 40.22 cm3; (11)Molar Volume: 136.1 cm3; (12)Polarizability: 15.94×10-24cm3; (13)Surface Tension: 43 dyne/cm; (14)Density: 1.36 g/cm3; (15)Flash Point: 101.9 °C; (16)Enthalpy of Vaporization: 48.19 kJ/mol; (17)Boiling Point: 244.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0297 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1cc(cnc1N)C(F)(F)F
(2)InChI: InChI=1/C8H5F3N2/c1-2-5-3-6(8(9,10)11)4-13-7(5)12/h1,3-4H,(H2,12,13)
(3)InChIKey: AOXNOOYKQDKKFU-UHFFFAOYAJ