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3-Pyridinecarboxylic acid, 6-(4-morpholinyl)-, methyl ester

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Name

3-Pyridinecarboxylic acid, 6-(4-morpholinyl)-, methyl ester

EINECS N/A
CAS No. 132546-81-7 Density 1.208 g/cm3
PSA 51.66000 LogP 0.76980
Solubility N/A Melting Point 113 °C
Formula C11H14N2O3 Boiling Point 383.6 °C at 760 mmHg
Molecular Weight 222.244 Flash Point 185.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 132546-81-7 (METHYL 6-MORPHOLINONICOTINATE) Hazard Symbols IrritantXi
Synonyms

Methyl 6-morpholin-4-ylpyridine-3-carboxylate;Methyl 6-(morpholin-4-yl)nicotinate;

Article Data 3

3-Pyridinecarboxylic acid, 6-(4-morpholinyl)-, methyl ester Specification

The 3-Pyridinecarboxylic acid, 6-(4-morpholinyl)-, methyl ester, with the CAS registry number 132546-81-7, is also known as Methyl 6-(morpholin-4-yl)nicotinate. It belongs to the product categories of Blocks; Carboxes; Pyridines. This chemical's molecular formula is C11H14N2O3 and molecular weight is 222.24. What's more, its systematic name is methyl 6-morpholin-4-ylpyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylic acid, 6-(4-morpholinyl)-, methyl ester are: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.6; (7)ACD/KOC (pH 5.5): 10.89; (8)ACD/KOC (pH 7.4): 48.14; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.66 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 57.92 cm3; (15)Molar Volume: 183.8 cm3; (16)Polarizability: 22.96×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 185.8 °C; (20)Enthalpy of Vaporization: 63.21 kJ/mol; (21)Boiling Point: 383.6 °C at 760 mmHg; (22)Vapour Pressure: 4.36E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2cnc(N1CCOCC1)cc2
(2)InChI: InChI=1S/C11H14N2O3/c1-15-11(14)9-2-3-10(12-8-9)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
(3)InChIKey: FFBPRHFKXVNLDV-UHFFFAOYSA-N

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