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| Name |
2,3,6,7-Tetrahydroazepine-1-carboxylic acid tert-butyl ester |
EINECS | N/A |
| CAS No. | 317336-73-5 | Density | 1.007 g/cm3 |
| PSA | 29.54000 | LogP | 2.51140 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H19NO2 | Boiling Point | 262.2 °C at 760 mmHg |
| Molecular Weight | 197.27 | Flash Point | 112.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,3,6,7-Tetrahydroazepine-1-carboxylicacid tert-butyl ester; |
2,3,6,7-Tetrahydroazepine-1-carboxylic acid tert-butyl ester Specification
The 2,3,6,7-Tetrahydroazepine-1-carboxylic acid tert-butyl ester with its cas register number is 317336-73-5. It also can be called as 1H-Azepine-1-carboxylicacid, 2,3,6,7-tetrahydro-, 1,1-dimethylethyl ester.
Physical properties about 2,3,6,7-Tetrahydroazepine-1-carboxylic acid tert-butyl ester are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 29.54Å2; (4)Index of Refraction: 1.48; (5)Molar Refractivity: 55.65 cm3; (6)Molar Volume: 195.7 cm3; (7)Polarizability: 22.06x10-24cm3; (8)Surface Tension: 35.2 dyne/cm; (9)Enthalpy of Vaporization: 50 kJ/mol; (10)Vapour Pressure: 0.011 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC=CCC1
(2)InChI: InChI=1/C11H19NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-5H,6-9H2,1-3H3
(3)InChIKey: XUNAYZIHVQJKGX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-5H,6-9H2,1-3H3
(5)Std. InChIKey: XUNAYZIHVQJKGX-UHFFFAOYSA-N
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