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Name |
3-Pyridinecarboxylic acid, 6-(diethylamino)-, methyl ester |
EINECS | N/A |
CAS No. | 690632-37-2 | Density | 1.087 g/cm3 |
PSA | 42.43000 | LogP | 1.71440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H16N2O2 | Boiling Point | 314.4 °C at 760 mmHg |
Molecular Weight | 208.26 | Flash Point | 144 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 6-(diethylamino)pyridine-3-carboxylate;Methyl 6-(diethylamino)nicotinate; |
The 3-Pyridinecarboxylic acid, 6-(diethylamino)-, methyl ester, with the CAS registry number 690632-37-2, is also known as Methyl 6-(diethylamino)nicotinate. This chemical's molecular formula is C11H16N2O2 and molecular weight is 208.26. What's more, its systematic name is methyl 6-(diethylamino)pyridine-3-carboxylate.
Physical properties of 3-Pyridinecarboxylic acid, 6-(diethylamino)-, methyl ester are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 56.25; (6)ACD/BCF (pH 7.4): 99.46; (7)ACD/KOC (pH 5.5): 528.18; (8)ACD/KOC (pH 7.4): 933.9; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 59.69 cm3; (15)Molar Volume: 191.5 cm3; (16)Polarizability: 23.66×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.087 g/cm3; (19)Flash Point: 144 °C; (20)Enthalpy of Vaporization: 55.56 kJ/mol; (21)Boiling Point: 314.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000466 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cnc(N(CC)CC)cc1
(2)InChI: InChI=1S/C11H16N2O2/c1-4-13(5-2)10-7-6-9(8-12-10)11(14)15-3/h6-8H,4-5H2,1-3H3
(3)InChIKey: MYJCIGZNMMQDRA-UHFFFAOYSA-N