2-(Piperidin-4-yl)acetonitrile supplier

Name
2-(Piperidin-4-yl)acetonitrile
EINECS
CAS No. 202002-66-2
Article Data7
CAS DataBase
Density 0.931 g/cm³
Solubility
Melting Point
Formula C₇H₁₂N₂
Boiling Point 247.487 °C at 760 mmHg
Molecular Weight 124.186
Flash Point 103.477 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(piperidin-4-yl)acetonitrile;4-Piperidineacetonitrile
PSA 35.82000
LogP 1.22848

2-(Piperidin-4-yl)acetonitrile 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 C₇H₁₂N₂and 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

Product Name

2-(Piperidin-4-yl)acetonitrile

2-(Piperidin-4-yl)acetonitrile Specification

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