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N-(4-Methoxyphenyl)-2-pyrazinamine

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Name

N-(4-Methoxyphenyl)-2-pyrazinamine

EINECS N/A
CAS No. 1022128-78-4 Density 1.212 g/cm3
PSA 47.04000 LogP 2.30180
Solubility N/A Melting Point N/A
Formula C11H11N3O Boiling Point 348.1 °C at 760 mmHg
Molecular Weight 201.228 Flash Point 164.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 1022128-78-4 (N-(4-Methoxyphenyl)pyrazin-2-amine) Hazard Symbols Xn
Synonyms

N-(4-Methoxyphenyl)pyrazin-2-amine;2-Pyrazinamine, N-(4-methoxyphenyl)-;

Article Data 1

N-(4-Methoxyphenyl)-2-pyrazinamine Specification

The N-(4-Methoxyphenyl)-2-pyrazinamine, with the CAS registry number 1022128-78-4, is also known as 2-Pyrazinamine, N-(4-methoxyphenyl)-. This chemical's molecular formula is C8H7F3O and molecular weight is 201.22. What's more, its systematic name is N-(4-methoxyphenyl)pyrazin-2-amine.

Physical properties of N-(4-Methoxyphenyl)-2-pyrazinamine are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD(pH 7.4): 1.49; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 47.04 Å2; (8)Index of Refraction: 1.622; (9)Molar Refractivity: 58.48 cm3; (10)Molar Volume: 165.9 cm3; (11)Surface Tension: 52 dyne/cm; (12)Density: 1.212 g/cm3; (13)Flash Point: 164.3 °C; (14)Enthalpy of Vaporization: 59.25 kJ/mol; (15)Boiling Point: 348.1 °C at 760 mmHg; (16)Vapour Pressure: 5.15E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)Nc2cnccn2
(2)InChI: InChI=1/C11H11N3O/c1-15-10-4-2-9(3-5-10)14-11-8-12-6-7-13-11/h2-8H,1H3,(H,13,14)
(3)InChIKey: AZDBABVGXUPDTO-UHFFFAOYAG

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