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1069473-58-0

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Basic Information
CAS No.: 1069473-58-0
Name: (1-(3-Phenylpyrazin-2-yl)piperidin-4-yl)methanamine
Molecular Structure:
Molecular Structure of 1069473-58-0 ((1-(3-Phenylpyrazin-2-yl)piperidin-4-yl)methanamine)
Formula: C16H20N4
Molecular Weight: 268.36
Synonyms: 4-Piperidinemethanamine, 1-(3-phenyl-2-pyrazinyl)-;
EINECS: 604-604-1
Density: 1.126 g/cm3
Boiling Point: 449.2 °C at 760 mmHg
Flash Point: 225.5 °C
PSA: 55.04000
LogP: 3.08400
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Specification

The (1-(3-Phenylpyrazin-2-yl)piperidin-4-yl)methanamine, with the CAS registry number 1069473-58-0, is also known as 4-Piperidinemethanamine, 1-(3-phenyl-2-pyrazinyl)-. This chemical's molecular formula is C16H20N4 and formula weight is 268.36. What's more, both its IUPAC name and systematic name are the same which is called [1-(3-Phenylpyrazin-2-yl)piperidin-4-yl]methanamine.

Physical properties about this chemical are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.04 Å2; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 80.07 cm3; (9)Molar Volume: 238.1 cm3; (10)Surface Tension: 49.4 dyne/cm; (11)Density: 1.126 g/cm3; (12)Flash Point: 225.5 °C; (13)Enthalpy of Vaporization: 70.79 kJ/mol; (14)Boiling Point: 449.2 °C at 760 mmHg; (15)Vapour Pressure: 2.91E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCC1CN)C2=NC=CN=C2C3=CC=CC=C3
(2)InChI: InChI=1S/C16H20N4/c17-12-13-6-10-20(11-7-13)16-15(18-8-9-19-16)14-4-2-1-3-5-14/h1-5,8-9,13H,6-7,10-12,17H2
(3)InChIKey: WDSGXROHQKKIID-UHFFFAOYSA-N