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3-Amino-2-(Phenylethynyl)pyridine

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Name

3-Amino-2-(Phenylethynyl)pyridine

EINECS N/A
CAS No. 288254-71-7 Density 1.19 g/cm3
PSA 38.91000 LogP 2.64480
Solubility N/A Melting Point N/A
Formula C13H10N2 Boiling Point 404.3 °C at 760 mmHg
Molecular Weight 194.236 Flash Point 227.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 288254-71-7 (3-Amino-2-(Phenylethynyl)pyridine) Hazard Symbols N/A
Synonyms

3-Pyridinamine, 2-(2-phenylethynyl)-;

Article Data 4

3-Amino-2-(Phenylethynyl)pyridine Specification

The 3-Amino-2-(Phenylethynyl)pyridine, with the CAS registry number 288254-71-7, is also known as 3-Pyridinamine, 2-(2-phenylethynyl)-. This chemical's molecular formula is C13H10N2 and molecular weight is 194.236. What's more, its systematic name is 2-(Phenylethynyl)pyridin-3-amine.

Physical properties about 3-Amino-2-(Phenylethynyl)pyridine are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.19; (6)ACD/BCF (pH 7.4): 50.43; (7)ACD/KOC (pH 5.5): 573.22; (8)ACD/KOC (pH 7.4): 575.92; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 60.14 cm3; (15)Molar Volume: 162.8 cm3; (16)Polarizability: 23.84×10-24 cm3; (17)Surface Tension: 62.8 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 227.3 °C; (20)Enthalpy of Vaporization: 65.58 kJ/mol; (21)Boiling Point: 404.3 °C at 760 mmHg; (22)Vapour Pressure: 9.52E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1ncccc1N)c2ccccc2
(2) InChI: InChI=1/C13H10N2/c14-12-7-4-10-15-13(12)9-8-11-5-2-1-3-6-11/h1-7,10H,14H2
(3) InChIKey: SKLFLWWXQBYFQR-UHFFFAOYAW

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