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CAS No.: | 874-31-7 |
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Name: | 2-Amino-5-chloro-3-methoxypyrazine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5H6ClN3O |
Molecular Weight: | 159.575 |
Synonyms: | 2-pyrazinamine, 5-chloro-3-methoxy-;5-Chloro-3-methoxypyrazin-2-amine;LogP |
Density: | 1.398 g/cm3 |
Melting Point: | 128-131 °C |
Boiling Point: | 271.113 °C at 760 mmHg |
Flash Point: | 117.765 °C |
PSA: | 61.03000 |
LogP: | 1.30200 |
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The 2-Amino-5-chloro-3-methoxypyrazine, with CAS registry number 874-31-7, has the systematic name of 5-chloro-3-methoxypyrazin-2-amine. Besides this, it is also called 2-pyrazinamine, 5-chloro-3-methoxy-. Its molecular weight is 159.575. And the chemical formula of this chemical is C5H6ClN3O.
Physical properties of 2-Amino-5-chloro-3-methoxypyrazine: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 79; (6)ACD/BCF (pH 7.4): 79; (7)ACD/KOC (pH 5.5): 791; (8)ACD/KOC (pH 7.4): 791; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 38.245 cm3; (15)Molar Volume: 114.114 cm3; (16)Polarizability: 15.162×10-24cm3; (17)Surface Tension: 57.284 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 117.765 °C; (20)Enthalpy of Vaporization: 50.933 kJ/mol; (21)Boiling Point: 271.113 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(OC)c(nc1)N
(2)InChI: InChI=1/C5H6ClN3O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3,(H2,7,8)
(3)InChIKey: LUJZVKRORABUDS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H6ClN3O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3,(H2,7,8)
(5)Std. InChIKey: LUJZVKRORABUDS-UHFFFAOYSA-N