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Name |
2,3-Pyrazinediamine, 5-bromo-N3,N3-diethyl- |
EINECS | N/A |
CAS No. | 912773-09-2 | Density | 1.482 g/cm3 |
PSA | 55.04000 | LogP | 2.24870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H13BrN4 | Boiling Point | 349.4 °C at 760 mmHg |
Molecular Weight | 245.12 | Flash Point | 165.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-AMINO-5-BROMO-3-(DIETHYLAMINO)PYRAZINE |
This chemical is called 2,3-Pyrazinediamine, 5-bromo-N3,N3-diethyl-, and its systematic name is 5-Bromo-N3,N3-diethylpyrazine-2,3-diamine. With the molecular formula of C8H13BrN4, its molecular weight is 245.12. The CAS registry number of this chemical is 912773-09-2.
Other characteristics of the 2,3-Pyrazinediamine, 5-bromo-N3,N3-diethyl- can be summarised as followings: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1061.67; (6)ACD/BCF (pH 7.4): 1064.56; (7)ACD/KOC (pH 5.5): 5096.39; (8)ACD/KOC (pH 7.4): 5110.28; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.04 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 57.94 cm3; (15)Molar Volume: 165.3 cm3; (16)Polarizability: 22.96×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.482 g/cm3; (19)Flash Point: 165.1 °C; (20)Enthalpy of Vaporization: 59.39 kJ/mol; (21)Boiling Point: 349.4 °C at 760 mmHg; (22)Vapour Pressure: 4.7E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCN(CC)c1c(ncc(n1)Br)N
2.InChI: InChI=1/C8H13BrN4/c1-3-13(4-2)8-7(10)11-5-6(9)12-8/h5H,3-4H2,1-2H3,(H2,10,11)
3.InChIKey: UPBXLNNIEQKSAK-UHFFFAOYAR