3-Pyridinecarbonitrile,2-(1-piperidinyl)- supplier

Name
2-PIPERIDINONICOTINONITRILE
EINECS
CAS No. 34595-23-8
Article Data4
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃N₃
Boiling Point 352.5 °C at 760 mmHg
Molecular Weight 187.244
Flash Point 167 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Piperidinonicotinonitrile;
PSA 39.92000
LogP 2.00858

3-Pyridinecarbonitrile,2-(1-piperidinyl)- 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

Product Name

2-PIPERIDINONICOTINONITRILE

3-Pyridinecarbonitrile,2-(1-piperidinyl)- Specification

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