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Basic Information
CAS No.: 69491-57-2
Name: 4-Pyrimidin-2-ylaniline
Article Data: 4
Molecular Structure:
Molecular Structure of 69491-57-2 (4-Pyrimidin-2-ylaniline)
Formula: C10H9N3
Molecular Weight: 171.202
Synonyms: 4-Pyrimidin-2-ylaniline;4-Pyrimidin-2-ylaniline 97%;2-(4-Aminophenyl)pyrimidine;2-(4-Aminophenyl)pyrimidine, 2-(4-Aminophenyl)-1,3-diazine
Density: 1.193 g/cm3
Melting Point: 149-152.5
Boiling Point: 255.387 °C at 760 mmHg
Flash Point: 131.948 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 51.80000
LogP: 2.30700
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Specification

The Benzenamine,4-(2-pyrimidinyl)-, with the CAS registry number 69491-57-2, is also known as 4-Pyrimidin-2-ylaniline. This chemical's molecular formula is C10H9N3 and molecular weight is 171.19856. Its Systematic name is 4-(pyrimidin-2-yl)aniline.

Physical properties about Benzenamine,4-(2-pyrimidinyl)- are: (1)ACD/LogP: 1.05; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 51.8 Å2; (7)Index of Refraction: 1.634; (8)Molar Refractivity: 51.263 cm3; (9)Molar Volume: 143.446 cm3; (10)Polarizability: 20.322×10-24cm3; (11)Surface Tension: 57.357 dyne/cm; (12)Density: 1.193 g/cm3; (13)Flash Point: 131.948 °C; (14)Enthalpy of Vaporization: 49.286 kJ/mol; (15)Boiling Point: 255.387 °C at 760 mmHg; (16)Vapour Pressure: 0.016 mmHg at 25 °C; (17)Melting point: 149-152.5 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: InChI=1/C10H9N3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H,11H2
(2) InChI: RUVNVJCKWOOLOH-UHFFFAOYAO
(3) InChIKey: InChI=1S/C10H9N3/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H,11H2