Molecular Structure of 2H-1,4-Diazepin-2-one,hexahydro-1-methyl- (CAS NO.60565-89-1):
CAS: 60565-89-1
Empirical Formula: C6H12N2O
Molecular Weight: 128.1723
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 23.55 Å2
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1.29
Index of Refraction: 1.457
Molar Refractivity: 34.81 cm3
Molar Volume: 127.7 cm3
Polarizability: 13.8 10-24cm3
Surface Tension: 30.5 dyne/cm
Density: 1.003 g/cm3
Flash Point: 120 °C
Enthalpy of Vaporization: 51.32 kJ/mol
Boiling Point: 274.8 °C at 760 mmHg
Vapour Pressure: 0.00529 mmHg at 25°C
2H-1,4-Diazepin-2-one,hexahydro-1-methyl- , with CAS number of 60565-89-1, can be called 1-Methyl-1,4-diazepan-5-one ; 2h-1,4-diazepin-2-one, hexahydro-1-methyl- ; n-methyl-5-homopiperazinone .
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