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| Name |
4-Oxazolecarboxylicacid, 2-(4-piperidinyl)-, ethyl ester |
EINECS | N/A |
| CAS No. | 672310-05-3 | Density | 1.138 g/cm3 |
| PSA | 64.36000 | LogP | 1.64710 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H16N2O3 | Boiling Point | 337.852 °C at 760 mmHg |
| Molecular Weight | 224.26 | Flash Point | 158.127 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Ethyl 2-(piperidin-4-yl)oxazole-4-carboxylate;Ethyl 2-(4'-piperidino)-1,3-oxazole-4-carboxylate;2-Piperidin-4-yl-oxazole-4-carboxylic acid ethyl ester; |
4-Oxazolecarboxylicacid, 2-(4-piperidinyl)-, ethyl ester Specification
The IUPAC name of 4-Oxazolecarboxylicacid, 2-(4-piperidinyl)-, ethyl ester is ethyl 2-piperidin-4-yl-1,3-oxazole-4-carboxylate. With the CAS registry number 672310-05-3, it is also named as 2-Piperidin-4-yl-oxazole-4-carboxylic acid ethyl ester. In addition, its molecular formula is C11H16N2O3 and its molecular weight is 224.26.
The other characteristics of 4-Oxazolecarboxylicacid, 2-(4-piperidinyl)-, ethyl ester can be summarized as: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.034; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 64.36 Å2; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 57.648 cm3; (13)Molar Volume: 197.089 cm3; (14)Polarizability: 22.853×10-24cm3; (15)Surface Tension: 41.147 dyne/cm; (16)Density: 1.138 g/cm3; (17)Flash Point: 158.127 °C; (18)Enthalpy of Vaporization: 58.115 kJ/mol; (19)Boiling Point: 337.852 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: CCOC(=O)c1coc(n1)C2CCNCC2
(2)InChI: InChI=1/C11H16N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
(3)InChIKey: XIHXVYGYBIEGFM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H16N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
(5)Std. InChIKey: XIHXVYGYBIEGFM-UHFFFAOYSA-N
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