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| Name |
4-Piperidinecarboxylicacid, 1-(4-formylphenyl)-, ethyl ester |
EINECS | N/A |
| CAS No. | 85345-11-5 | Density | 1.148 g/cm3 |
| PSA | 46.61000 | LogP | 2.34360 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H19NO3 | Boiling Point | 410.8 °C at 760 mmHg |
| Molecular Weight | 261.32 | Flash Point | 202.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-(4-Formylphenyl)piperidine-4-carboxylic acid ethyl ester;Ethyl 1-(4-formylphenyl)-4-piperidinecarboxylate;1-(2-Formylphenyl)-4-piperidinecarboxylic acidethyl ester; |
4-Piperidinecarboxylicacid, 1-(4-formylphenyl)-, ethyl ester Specification
The IUPAC name of 4-Piperidinecarboxylicacid, 1-(4-formylphenyl)-, ethyl ester is ethyl 1-(4-formylphenyl)piperidine-4-carboxylate. With the CAS registry number 85345-11-5, it is also named as 1-(4-Formylphenyl)piperidine-4-carboxylic acid ethyl ester. The product's category is API Intermediates. In addition, its molecular formula is C15H19NO3 and its molecular weight is 261.32.
The other characteristics of 4-Piperidinecarboxylicacid, 1-(4-formylphenyl)-, ethyl ester can be summarized as: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.87; (6)ACD/BCF (pH 7.4): 28.87; (7)ACD/KOC (pH 5.5): 386.35; (8)ACD/KOC (pH 7.4): 386.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 73.4 cm3; (15)Molar Volume: 227.4 cm3; (16)Polarizability: 29.1×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 202.3 °C; (20)Enthalpy of Vaporization: 66.32 kJ/mol; (21)Boiling Point: 410.8 °C at 760 mmHg; (22)Vapour Pressure: 5.85E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: CCOC(=O)C1CCN(CC1)c2ccc(cc2)C=O
(2)InChI: InChI=1/C15H19NO3/c1-2-19-15(18)13-7-9-16(10-8-13)14-5-3-12(11-17)4-6-14/h3-6,11,13H,2,7-10H2,1H3
(3)InChIKey: UGKTXIIGWGWGNO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H19NO3/c1-2-19-15(18)13-7-9-16(10-8-13)14-5-3-12(11-17)4-6-14/h3-6,11,13H,2,7-10H2,1H3
(5)Std. InChIKey: UGKTXIIGWGWGNO-UHFFFAOYSA-N
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