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CAS No.: | 950845-96-2 |
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Name: | N-(5-Bromopyrazin-2-yl)-2-amino-4-methoxyaniline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H11BrN4O |
Molecular Weight: | 295.139 |
Synonyms: | 1,2-Benzenediamine, N1; N1 |
Density: | 1.6 g/cm3 |
Boiling Point: | 414.6 °C at 760 mmHg |
Flash Point: | 204.6 °C |
PSA: | 73.06000 |
LogP: | 3.22770 |
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The N-(5-Bromopyrazin-2-yl)-2-amino-4-methoxyaniline is an organic compound with the formula C11H11BrN4O. The systematic name of this chemical is N1-(5-bromopyrazin-2-yl)-4-methoxy-benzene-1,2-diamine. With the CAS registry number 950845-96-2, it is also named as 1,2-Benzenediamine, N1-(5-bromo-2-pyrazinyl)-4-methoxy-. The product's category is Amines and Anilines.
Physical properties about N-(5-Bromopyrazin-2-yl)-2-amino-4-methoxyaniline are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 1.97; (3)ACD/LogD (pH 7.4): 1.97; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 73.06 Å2; (8)Index of Refraction: 1.689; (9)Molar Refractivity: 70.41 cm3; (10)Molar Volume: 184.3 cm3; (11)Polarizability: 27.91×10-24cm3; (12)Surface Tension: 64.1 dyne/cm; (13)Density: 1.6 g/cm3; (14)Flash Point: 204.6 °C; (15)Enthalpy of Vaporization: 66.76 kJ/mol; (16)Boiling Point: 414.6 °C at 760 mmHg; (17)Vapour Pressure: 4.39E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1)N)Nc2cnc(cn2)Br
(2)InChI: InChI=1/C11H11BrN4O/c1-17-7-2-3-9(8(13)4-7)16-11-6-14-10(12)5-15-11/h2-6H,13H2,1H3,(H,15,16)
(3)InChIKey: LOQDWAMBYVIPGR-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H11BrN4O/c1-17-7-2-3-9(8(13)4-7)16-11-6-14-10(12)5-15-11/h2-6H,13H2,1H3,(H,15,16)
(5)Std. InChIKey: LOQDWAMBYVIPGR-UHFFFAOYSA-N