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69491-56-1
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Basic Information
CAS No.: 69491-56-1
Name: 3-Pyrimidin-2-ylaniline
Article Data: 2
Molecular Structure:
Molecular Structure of 69491-56-1 (3-Pyrimidin-2-ylaniline)
Formula: C10H9N3
Molecular Weight: 171.202
Synonyms: 3-Pyrimidin-2-ylaniline;3-Pyrimidin-2-ylaniline 97%;2-(3-Aminophenyl)pyrimidine;2-(3-Aminophenyl)pyrimidine, 2-(3-Aminophenyl)-1,3-diazine
Density: 1.193 g/cm3
Melting Point: 99.5 °C
Boiling Point: 268.51 °C at 760 mmHg
Flash Point: 140.346 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 51.80000
LogP: 2.30700
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Specification

The 3-Pyrimidin-2-ylaniline, with the CAS registry number 69491-56-1, is also known as 3-Pyrimidin-2-ylanilineand. This chemical's molecular formula is C10H9N3 and molecular weight is 171.19856.

Physical properties about 3-Pyrimidin-2-ylaniline 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: 140.346 °C; (14)Enthalpy of Vaporization: 50.659 kJ/mol; (15)Boiling Point: 268.51 °C at 760 mmHg; (16)Vapour Pressure: 0.008 mmHg at 25 °C; (17)Melting point: 99.5 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(ccc1)c2ncccn2
(2) InChI: InChI=1/C10H9N3/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H,11H2
(3) InChIKey: GOCBKTKLGFLECW-UHFFFAOYAE