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2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester

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Name

2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester

EINECS N/A
CAS No. 113994-36-8 Density 1.203 g/cm3
PSA 74.44000 LogP 4.06270
Solubility N/A Melting Point N/A
Formula C18H21ClN2O3 Boiling Point 461.8 °C at 760 mmHg
Molecular Weight 348.829 Flash Point 233.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 113994-36-8 (2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester) Hazard Symbols N/A
Synonyms

Ethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methylnicotinate;

 

2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester Specification

The 2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3-pyridinecarboxylic acid ethyl ester with the cas number 113994-36-8, is also called Ethyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methylnicotinate. The systematic name is 3-pyridinecarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-, ethyl ester. Its molecular formula is C18H21ClN2O3.

The properties of the chemical are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.2; (7)ACD/KOC (pH 5.5): 1.63; (8)ACD/KOC (pH 7.4): 69.93; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 74.44Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 94.52 cm3; (15)Molar Volume: 289.9 cm3; (16)Polarizability: 37.47×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Enthalpy of Vaporization: 72.27 kJ/mol; (19)Vapour Pressure: 1.04×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(cc(nc1COCCN)C)c2ccccc2Cl
(2)InChI: InChI=1/C18H21ClN2O3/c1-3-24-18(22)17-14(13-6-4-5-7-15(13)19)10-12(2)21-16(17)11-23-9-8-20/h4-7,10H,3,8-9,11,20H2,1-2H3

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