4-Piperidinecarboxylicacid, 1-(4-formylphenyl)-, ethyl ester supplier

Name
1-(4-FORMYLPHENYL)PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 85345-11-5
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₃
Boiling Point 410.8 °C at 760 mmHg
Molecular Weight 261.32
Flash Point 202.3 °C
Transport Information
Appearance
Safety
Risk Codes
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;
PSA 46.61000
LogP 2.34360

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

Product Name

1-(4-FORMYLPHENYL)PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER

4-Piperidinecarboxylicacid, 1-(4-formylphenyl)-, ethyl ester Specification

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