Basic information
- Name:
Quinoxaline,6,7-dimethoxy-2,3-dimethyl-
- CAS No.:
32388-00-4
- Molecular Structure:
- Formula:
- C12H14N2O2
- Molecular Weight:
- 218.25
- Synonyms:
- 6,7-dimethoxy-2,3-dimethylquinoxaline;quinoxaline, 6,7-dimethoxy-2,3-dimethyl-;
- Density:
- 1.145 g/cm3
- Boiling Point:
- 327 °C at 760 mmHg
- Flash Point:
- 119.8 °C
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Specification
The Quinoxaline,6,7-dimethoxy-2,3-dimethyl-, with the CAS registry number 32388-00-4, has the systematic name and IUPAC name of 6,7-dimethoxy-2,3-dimethylquinoxaline. It belongs to the product category of Aromatics. And the molecular formula of the chemical is C12H14N2O2.
The characteristics of Quinoxaline,6,7-dimethoxy-2,3-dimethyl- are as followings: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.44; (6)ACD/BCF (pH 7.4): 107.46; (7)ACD/KOC (pH 5.5): 989.71; (8)ACD/KOC (pH 7.4): 989.84; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.24 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 63.28 cm3; (15)Molar Volume: 190.5 cm3; (16)Polarizability: 25.08×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.145 g/cm3; (19)Flash Point: 119.8 °C; (20)Enthalpy of Vaporization: 54.66 kJ/mol; (21)Boiling Point: 327 °C at 760 mmHg; (22)Vapour Pressure: 0.000396 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c2cc(OC)c(OC)cc2nc(c1C)C
(2)InChI: InChI=1/C12H14N2O2/c1-7-8(2)14-10-6-12(16-4)11(15-3)5-9(10)13-7/h5-6H,1-4H3
(3)InChIKey: IZUXTDPRBHCJMZ-UHFFFAOYAP