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34595-23-8

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Basic Information
CAS No.: 34595-23-8
Name: 2-PIPERIDINONICOTINONITRILE
Article Data: 4
Molecular Structure:
Molecular Structure of 34595-23-8 (2-PIPERIDINONICOTINONITRILE)
Formula: C11H13N3
Molecular Weight: 187.244
Synonyms: 2-Piperidinonicotinonitrile;
Density: 1.15 g/cm3
Boiling Point: 352.5 °C at 760 mmHg
Flash Point: 167 °C
PSA: 39.92000
LogP: 2.00858
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Specification

The 3-Pyridinecarbonitrile,2-(1-piperidinyl)-, with the CAS registry number 34595-23-8, is also known as 2-Piperidinonicotinonitrile. This chemical's molecular formula is C11H13N3 and molecular weight is 187.241. What's more, its systematic name is called 2-Piperidin-1-ylpyridine-3-carbonitrile.

Physical properties about 3-Pyridinecarbonitrile,2-(1-piperidinyl)- are: (1)ACD/LogP: 1.84; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 9.71; (6)ACD/BCF (pH 7.4): 14.64; (7)ACD/KOC (pH 5.5): 157.25; (8)ACD/KOC (pH 7.4): 237.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.92 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 54.1 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 21.44×10-24 cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 167 °C; (20)Enthalpy of Vaporization: 59.74 kJ/mol; (21)Boiling Point: 352.5 °C at 760 mmHg; (22)Vapour Pressure: 3.81E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(nccc1)N2CCCCC2
(2) InChI: InChI=1/C11H13N3/c12-9-10-5-4-6-13-11(10)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2
(3) InChIKey: QSVJDHRFGUCEDC-UHFFFAOYAI