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CAS No.: | 337463-65-7 |
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Name: | 6-amino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H7N3O2 |
Molecular Weight: | 165.151 |
Synonyms: | 6-amino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
Density: | 1.432 g/cm3 |
Boiling Point: | 466.189 °C at 760 mmHg |
Flash Point: | 235.743 °C |
PSA: | 81.46000 |
LogP: | 0.00990 |
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The 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,6-amino- has CAS registry number 337463-65-7. Its molecular formula is C7H7N3O2 and molecular weight is 165.1494. What's more, its systematic name is 6-Amino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one.
Physical properties about the 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one,6-amino- are: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31; (8)ACD/KOC (pH 7.4): 31; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 77.24 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 41.227 cm3; (15)Molar Volume: 115.341 cm3; (16)Surface Tension: 66.779 dyne/cm; (17)Density: 1.432 g/cm3; (18)Flash Point: 235.743 °C; (19)Enthalpy of Vaporization: 72.794 kJ/mol; (20)Boiling Point: 466.189 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc2OCC(=O)Nc2n1
(2) InChI: InChI=1/C7H7N3O2/c8-5-2-1-4-7(9-5)10-6(11)3-12-4/h1-2H,3H2,(H3,8,9,10,11)
(3) InChIKey: RIOMUKYDWGTOAF-UHFFFAOYAV