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| CAS No.: | 19728-76-8 |
|---|---|
| Name: | 3-Ethoxycarbonylquinolizidine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C12H21NO2 |
| Molecular Weight: | 211.304 |
| Synonyms: | Octahydroquinolizine-3-carboxylic acid ethyl ester;3-ethoxycarbonylquinolizidine;cis-octahydro-2h-quinolizine-3-carboxylic acid ethyl ester |
| Density: | 1.05 g/cm3 |
| Boiling Point: | 95-96 ºC (2 Torr) |
| Flash Point: | 99 ºC |
| PSA: | 29.54000 |
| LogP: | 1.75190 |
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Specification
The 3-Ethoxycarbonylquinolizidine, with the cas registry number of 19728-76-8, is also known as Octahydroquinolizine-3-carboxylic acid ethyl ester and cis-Octahydro-2H-quinolizine-3-carboxylic acid ethyl ester. This chemical's molecular formula is C12H21NO2 and formula weight is 211.30. What's more, its systematic name is called Ethyl octahydro-2H-quinolizine-3-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.2; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 59.21 cm3; (14)Molar Volume: 200.4 cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.05 g/cm3; (17)Flash Point: 99.4 °C; (18)Enthalpy of Vaporization: 52.01 kJ/mol; (19)Boiling Point: 281.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0036 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C1CCC2CCCCN2C1;
(2)InChI: InChI=1/C12H21NO2/c1-2-15-12(14)10-6-7-11-5-3-4-8-13(11)9-10/h10-11H,2-9H2,1H3;
(3)InChIKey: ICWZXKPBSHGFEO-UHFFFAOYAH;
(4)Std. InChI: InChI=1S/C12H21NO2/c1-2-15-12(14)10-6-7-11-5-3-4-8-13(11)9-10/h10-11H,2-9H2,1H3;
(5)Std. InChIKey: ICWZXKPBSHGFEO-UHFFFAOYSA-N.