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CAS No.: | 915707-61-8 |
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Name: | 3-[(6-Methylpyrazin-2-yl)oxy]aniline |
Molecular Structure: | |
Formula: | C11H11N3O |
Molecular Weight: | 201.22 |
Synonyms: | 3-[(6-Methylpyrazin-2-yl)oxy]aniline;3-[(6-Methylpyrazin-2-yl)oxy]aniline 97% |
Density: | 1.219 g/cm3 |
Melting Point: | 59.5 °C |
Boiling Point: | 353 °C at 760 mmHg |
Flash Point: | 167.3°C |
PSA: | 61.03000 |
LogP: | 2.74070 |
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This chemical is called Benzenamine, 3-[(6-methyl-2-pyrazinyl)oxy]-, and its systematic name is 3-(6-methylpyrazin-2-yl)oxyaniline. With the molecular formula of C11H11N3O, its molecular weight is 201.22. The CAS registry number of this chemical is 915707-61-8.
Other characteristics of the Benzenamine, 3-[(6-methyl-2-pyrazinyl)oxy]- can be summarised as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.27 ; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 61.03 Å2; (9)Index of Refraction: 1.619; (10)Molar Refractivity: 57.94 cm3; (11)Molar Volume: 165 cm3; (12)Polarizability: 22.96×10-24cm3; (13)Surface Tension: 55.3 dyne/cm; (14)Density: 1.219 g/cm3; (15)Flash Point: 167.3 °C; (16)Enthalpy of Vaporization: 59.79 kJ/mol; (17)Boiling Point: 353 °C at 760 mmHg; (18)Vapour Pressure: 3.69E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cncc(n1)Oc2cccc(c2)N
2.InChI: InChI=1/C11H11N3O/c1-8-6-13-7-11(14-8)15-10-4-2-3-9(12)5-10/h2-7H,12H2,1H3
3.InChIKey: ZFDWDKWQAXTCSU-UHFFFAOYAJ