| Identification | |
| Name: | 1-Boc-3-oxoazepane |
| Synonyms: | tert-butyl 3-oxoazepane-1-carboxylate;1H-Azepine-1-carboxylic acid, hexahydro-3-oxo-, 1,1-dimethylethyl ester; |
| CAS: | 870842-23-2 |
| Molecular Formula: | C11H19NO3 |
| Molecular Weight: | 213.27 |
| InChI: | InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h4-8H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.072 g/cm3 |
| Refractive index: | 1.476 |
| Specification: |
The 1-Boc-3-oxoazepane with the cas number 870842-23-2, is also called tert-butyl 3-oxoazepane-1-carboxylate.The chemical belongs to the following product categories: (1)Carbonyl Compounds; (2)Heterocycles.The properties of the chemical are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 1.93; (7)ACD/KOC (pH 5.5): 55.63; (8)ACD/KOC (pH 7.4): 55.63; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 56.18 cm3; (15)Molar Volume: 198.9 cm3; (16)Polarizability: 22.27×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Enthalpy of Vaporization: 54.89 kJ/mol; (19)Vapour Pressure: 0.00069 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
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