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110105-35-6

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Basic Information
CAS No.: 110105-35-6
Name: PIPERIDINE-4-CARBOXYLIC ACID PYRIDIN-4-YLAMIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 110105-35-6 (PIPERIDINE-4-CARBOXYLIC ACID PYRIDIN-4-YLAMIDE)
Formula: C11H15N3O
Molecular Weight: 205.26
Synonyms: N-(4-Pyridyl)-4-piperidinecarboxamide;
Density: 1.178 g/cm3
Boiling Point: 439.855 °C at 760 mmHg
Flash Point: 219.817 °C
PSA: 54.02000
LogP: 1.42150
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Specification

The N-(Pyridin-4-yl)piperidine-4-carboxamide, with the CAS registry number 110105-35-6, is also called Piperidine-4-carboxylic acid pyridin-4-ylamide. And the molecular formula of the chemical is C11H15N3O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0; (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: 2; (10)Polar Surface Area: 54.02 Å2; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 58.251 cm3; (13)Molar Volume: 174.302 cm3; (14)Polarizability: 23.092×10-24cm3; (15)Surface Tension: 52.748 dyne/cm; (16)Density: 1.178 g/cm3; (17)Flash Point: 219.817 °C; (18)Enthalpy of Vaporization: 69.688 kJ/mol; (19)Boiling Point: 439.855 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccncc1)C2CCNCC2
(2)InChI: InChI=1/C11H15N3O/c15-11(9-1-5-12-6-2-9)14-10-3-7-13-8-4-10/h3-4,7-9,12H,1-2,5-6H2,(H,13,14,15)
(3)InChIKey: RNGJIEPQECNRLG-UHFFFAOYAK