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202002-66-2

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Basic Information
CAS No.: 202002-66-2
Name: 2-(Piperidin-4-yl)acetonitrile
Article Data: 7
Molecular Structure:
Molecular Structure of 202002-66-2 (2-(Piperidin-4-yl)acetonitrile)
Formula: C7H12N2
Molecular Weight: 124.186
Synonyms: 2-(piperidin-4-yl)acetonitrile;4-Piperidineacetonitrile
Density: 0.931 g/cm3
Boiling Point: 247.487 °C at 760 mmHg
Flash Point: 103.477 °C
PSA: 35.82000
LogP: 1.22848
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Specification

The CAS registry number of 2-(Piperidin-4-yl)acetonitrile is 202002-66-2. This chemical is also known as 4-Piperidineacetonitrile and Piperidin-4-yl-acetonitrile. Its molecular formula is C7H12N2 and molecular weight is 124.1836. Its systematic name is called piperidin-4-ylacetonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1;(6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.447; (13)Molar Refractivity: 35.647 cm3; (14)Molar Volume: 133.442 cm3; (15)Surface Tension: 35.376 dyne/cm; (16)Density: 0.931 g/cm3; (17))Enthalpy of Vaporization: 48.465 kJ/mol; (18)Vapour Pressure: 0.026 mmHg at 25°C; (19)Boiling Point: 247.487 °C at 760 mmHg; (20)Flash Point: 103.477 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC1CCNCC1
(2)InChI: InChI=1/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-3,5-6H2
(3)InChIKey: ZVTFIBQPABQXLK-UHFFFAOYAW