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CAS No.: | 65776-63-8 |
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Name: | N,N'-diethylquinoxaline-2,3-diamine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H16N4 |
Molecular Weight: | 216.286 |
Synonyms: | 2,3-Quinoxalinediamine,N,N'-diethyl- (9CI);Quinoxaline, 2,3-bis(ethylamino)- (6CI);NSC 667754; |
EINECS: | 265-920-9 |
Density: | 1.188 g/cm3 |
Melting Point: | 157-159 °C |
Boiling Point: | 371.1 °C at 760 mmHg |
Flash Point: | 178.2 °C |
PSA: | 49.84000 |
LogP: | 2.63940 |
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The 2,3-Quinoxalinediamine,N2,N3-diethyl-, also known as 2,3-Di(ethylamino)quinoxaline, is an organic compound with the formula C12H16N4. Its EINECS registry number is 265-920-9. With the CAS registry number 65776-63-8, its IUPAC name is 2-N,3-N-diethylquinoxaline-2,3-diamine.
Physical properties of 2,3-Quinoxalinediamine,N2,N3-diethyl-: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 2.38; (5)ACD/BCF (pH 7.4): 7.42; (6)ACD/KOC (pH 5.5): 46.52; (7)ACD/KOC (pH 7.4): 144.99; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 68.76 cm3; (13)Molar Volume: 181.9 cm3; (14)Surface Tension: 55.5 dyne/cm; (15)Density: 1.188 g/cm3; (16)Flash Point: 178.2 °C; (17)Enthalpy of Vaporization: 61.8 kJ/mol; (18)Boiling Point: 371.1 °C at 760 mmHg; (19)Vapour Pressure: 1.06E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNC1=NC2=CC=CC=C2N=C1NCC
(2)InChI: InChI=1S/C12H16N4/c1-3-13-11-12(14-4-2)16-10-8-6-5-7-9(10)15-11/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)
(3)InChIKey: UYTGGRJPWFSBEV-UHFFFAOYSA-N