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| CAS No.: | 1245647-35-1 |
|---|---|
| Name: | 6-Methoxy-1,4-diazepane |
| Molecular Structure: | |
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| Formula: | C6H14N2O |
| Molecular Weight: | 130.1882 |
| Density: | 0.988 g/cm3 |
| Boiling Point: | 198.599 °C at 760 mmHg |
| Flash Point: | 71.834 °C |
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Specification
The 6-Methoxy-1,4-diazepane is an organic compound with the formula C6H14N2O. The systematic name of this chemical is 6-methoxy-1,4-diazepane. With the CAS registry number 1245647-35-1, it is also named as 1H-1,4-diazepine, hexahydro-6-methoxy-.
Physical properties about 6-Methoxy-1,4-diazepane are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 33.29 Å2; (9)Index of Refraction: 1.471; (10)Molar Refractivity: 36.8 cm3; (11)Molar Volume: 131.706 cm3; (12)Polarizability: 14.589×10-24cm3; (13)Surface Tension: 32.931 dyne/cm; (14)Density: 0.988 g/cm3; (15)Flash Point: 71.834 °C; (16)Enthalpy of Vaporization: 43.48 kJ/mol; (17)Boiling Point: 198.599 °C at 760 mmHg; (18)Vapour Pressure: 0.357 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC1CNCCNC1
(2)InChI: InChI=1/C6H14N2O/c1-9-6-4-7-2-3-8-5-6/h6-8H,2-5H2,1H3
(3)InChIKey: MZLRLEGPIKZPLU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H14N2O/c1-9-6-4-7-2-3-8-5-6/h6-8H,2-5H2,1H3
(5)Std. InChIKey: MZLRLEGPIKZPLU-UHFFFAOYSA-N