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N-(5-Bromopyrazin-2-yl)-2-amino-4-methoxyaniline

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Name

N-(5-Bromopyrazin-2-yl)-2-amino-4-methoxyaniline

EINECS N/A
CAS No. 950845-96-2 Density 1.6 g/cm3
PSA 73.06000 LogP 3.22770
Solubility N/A Melting Point N/A
Formula C11H11BrN4O Boiling Point 414.6 °C at 760 mmHg
Molecular Weight 295.139 Flash Point 204.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 950845-96-2 (N-(5-Bromopyrazin-2-yl)-2-amino-4-methoxyaniline) Hazard Symbols N/A
Synonyms

1,2-Benzenediamine, N1; N1

Article Data 2

N-(5-Bromopyrazin-2-yl)-2-amino-4-methoxyaniline Specification

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

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