Molecular Structure of 2-Amino-3-iodopyrazine (CAS NO.344329-41-5):
Empirical Formula: C4H4IN3
Molecular Weight: 221
ACD/LogP: 1.55
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 5.5): 8.85
ACD/BCF (pH 7.4): 8.85
ACD/KOC (pH 5.5): 165.76
ACD/KOC (pH 7.4): 165.76
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 51.8 Å2
Index of Refraction: 1.719
Molar Refractivity: 39.57 cm3
Molar Volume: 100.2 cm3
Surface Tension: 77 dyne/cm
Density: 2.204 g/cm3
Flash Point: 157.3 °C
Enthalpy of Vaporization: 57.96 kJ/mol
Boiling Point: 336.4 °C at 760 mmHg
Vapour Pressure: 0.000112 mmHg at 25°C
2-Amino-3-iodopyrazine , with CAS number of 344329-41-5, can be called 3-Iodopyrazin-2-amine ; 2-pyrazinamine, 3-iodo- .
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