Name: 3-AMINO-QUINOXALINE-2-OL
SKU: 35015-91-9

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Basic Information

Molecular Structure:
CAS No.:	35015-91-9
Name:	3-AMINO-QUINOXALINE-2-OL
Article Data:	18

Formula:	C₈H₇N₃O
Molecular Weight:	161.163
Synonyms:	3-Aminoquinoxalin-2-ol;
Density:	1.49 g/cm³
Boiling Point:	375.6 °C at 760 mmHg
Flash Point:	181 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	71.77000
LogP:	1.08650

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Specification

The 2(1H)-Quinoxalinone,3-amino-, with the CAS registry number of 35015-91-9, is also known as 3-Aminoquinoxalin-2-ol. This chemical's molecular formula is C₈H₇N₃O and molecular weight is 161.16068. What's more, its systematic name is 3-Aminoquinoxalin-2(1H)-one.

Physical properties about the 2(1H)-Quinoxalinone,3-amino- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.5; (8)ACD/KOC (pH 7.4): 26.53; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 43.18 cm³; (15)Molar Volume: 107.7 cm³; (16)Surface Tension: 65 dyne/cm; (17)Density: 1.49 g/cm³; (18)Flash Point: 181 °C; (19)Enthalpy of Vaporization: 64.76 kJ/mol; (20)Boiling Point: 375.6 °C at 760 mmHg; (21)Vapour Pressure: 3.56E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/1Nc2c(\N=C\1N)cccc2
(2) InChI: InChI=1/C8H7N3O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H,(H2,9,10)(H,11,12)
(3) InChIKey: QBBADXPVZMYLKN-UHFFFAOYAI