Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xi | |
Synonyms |
Methyl 6-morpholin-4-ylpyridine-3-carboxylate;Methyl 6-(morpholin-4-yl)nicotinate; |
Article Data | 3 |
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