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CAS No.: | 110223-15-9 |
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Name: | 2-AMINOL-3-BENZYLOXYPYRAZINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C11H11N3O |
Molecular Weight: | 201.228 |
Synonyms: | Pyrazinamine,3-(phenylmethoxy)- (9CI);2-Amino-3-benzyloxypyrazine; |
Density: | 1.236g/cm3 |
Boiling Point: | 366.075 °C at 760 mmHg |
Flash Point: | 175.196 °C |
PSA: | 61.03000 |
LogP: | 2.21900 |
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The 2-Pyrazinamine,3-(phenylmethoxy)-, with the CAS registry number 110223-15-9, is also known as 2-Amino-3-benzyloxypyrazine. This chemical's molecular formula is C11H11N3O and molecular weight is 201.23. What's more, its systematic name is 3-(benzyloxy)pyrazin-2-amine.
Physical properties of 2-Pyrazinamine,3-(phenylmethoxy)- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/BCF (pH 5.5): 128; (5)ACD/KOC (pH 5.5): 1122; (6)ACD/KOC (pH 7.4): 1123; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 61.03 Å2; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 57.837 cm3; (13)Molar Volume: 162.865 cm3; (14)Surface Tension: 58.396 dyne/cm; (15)Density: 1.236 g/cm3; (16)Flash Point: 175.196 °C; (17)Enthalpy of Vaporization: 61.245 kJ/mol; (18)Boiling Point: 366.075 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc2nccnc2OCc1ccccc1
(2)InChI: InChI=1S/C11H11N3O/c12-10-11(14-7-6-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13)
(3)InChIKey: QKEQFJXWHGVJJU-UHFFFAOYSA-N