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110105-99-2

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Basic Information
CAS No.: 110105-99-2
Name: PIPERIDINE-4-CARBOXYLIC ACID (6-METHYL-PYRIDIN-2-YL)-AMIDE
Molecular Structure:
Molecular Structure of 110105-99-2 (PIPERIDINE-4-CARBOXYLIC ACID (6-METHYL-PYRIDIN-2-YL)-AMIDE)
Formula: C12H17 N3 O
Molecular Weight: 219.28300
Synonyms: PIPERIDINE-4-CARBOXYLIC ACID (6-METHYL-PYRIDIN-2-YL)-AMIDE;
Density: 1.15g/cm3
Boiling Point: 424.7 °C at 760 mmHg
Flash Point: 210.7 °C
PSA: 54.02000
LogP: 1.72990
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Specification

The N-(6-Methylpyridin-2-yl)piperidine-4-carboxamide with cas registry number of 110105-99-2, is also named piperidine-4-carboxylic acid (6-methyl-pyridin-2-yl)-amide .

Physical properties of N-(6-Methylpyridin-2-yl)piperidine-4-carboxamide :(1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.02 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 63.07 cm3; (13)Molar Volume: 190.5 cm3; (14)Polarizability: 25×10-24cm3; (15)Surface Tension: 50.4 dyne/cm; (16)Enthalpy of Vaporization: 67.92 kJ/mol; (17)Vapour Pressure: 2.03E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:O=C(Nc1cccc(C)n1)C2CCNCC2; (2)InChI:InChI=1/C12H17N3O/c1-9-3-2-4-11(14-9)15-12(16)10-5-7-13-8-6-10/h2-4,10,13H,5-8H2,1H3,(H,14,15,16)InChIKey:WWRNOHRAKGMBLZ-UHFFFAOYAK; (3)Std. InChI:InChI=1S/C12H17N3O/c1-9-3-2-4-11(14-9)15-12(16)10-5-7-13-8-6-10/h2-4,10,13H,5-8H2,1H3,(H,14,15,16); (4)Std. InChIKey:WWRNOHRAKGMBLZ-UHFFFAOYSA-N .