3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester supplier

Name
METHYL 6-PIPERIDINONICOTINATE
EINECS
CAS No. 132521-82-5
Density 1.142 g/cm³
Solubility
Melting Point 70 °C
Formula C₁₂H₁₆N₂O₂
Boiling Point 364.5 °C at 760 mmHg
Molecular Weight 220.27
Flash Point 174.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 6-piperidin-1-ylpyridine-3-carboxylate;Methyl 6-piperidin-1-ylnicotinate;Methyl 6-piperidinonicotinate;
PSA 42.43000
LogP 1.92350

3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester Specification

The 3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester, with the CAS registry number 132521-82-5, is also known as Methyl 6-piperidinonicotinate. This chemical's molecular formula is C₁₂H₁₆N₂O₂ and molecular weight is 220.27. What's more, its systematic name is methyl 6-piperidin-1-ylpyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 24.48; (7)ACD/KOC (pH 5.5): 27.85; (8)ACD/KOC (pH 7.4): 328.59; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 60.93 cm³; (15)Molar Volume: 192.8 cm³; (16)Polarizability: 24.15×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.142 g/cm³; (19)Flash Point: 174.2 °C; (20)Enthalpy of Vaporization: 61.07 kJ/mol; (21)Boiling Point: 364.5 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cnc(cc1)N2CCCCC2
(2)InChI: InChI=1S/C12H16N2O2/c1-16-12(15)10-5-6-11(13-9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
(3)InChIKey: UJSPHYCMAZIKQD-UHFFFAOYSA-N

Product Name

METHYL 6-PIPERIDINONICOTINATE

3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester Specification

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