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337463-65-7

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Basic Information
CAS No.: 337463-65-7
Name: 6-amino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Article Data: 1
Molecular Structure:
Molecular Structure of 337463-65-7 (6-amino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one)
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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Specification

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