CAS No.162997-34-4,4-(PIPERIDIN-4-YL)BENZONITRILE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	162997-34-4
Name:	4-(PIPERIDIN-4-YL)BENZONITRILE HYDROCHLORIDE
Article Data:	5

Formula:	C₁₂H₁₄N₂
Molecular Weight:	222.718
Synonyms:	Benzonitrile,4-(4-piperidinyl)-, monohydrochloride (9CI);
Density:	1.08 g/cm³
Boiling Point:	333.6 °C at 760 mmHg
Flash Point:	155.6 °C
PSA:	35.82000
LogP:	3.15608

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Specification

The 4-Piperidin-4-ylbenzonitrile, with the CAS registry number 162997-34-4, is also known as Benzonitrile, 4-(4-piperidinyl)-. This chemical's molecular formula is C₁₂H₁₄N₂ and molecular weight is 186.25. Its systematic name is called 4-piperidin-4-ylbenzonitrile.

Physical properties of 4-Piperidin-4-ylbenzonitrile: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -1.06; (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: 1.566; (13)Molar Refractivity: 56.05 cm³; (14)Molar Volume: 171.6 cm³; (15)Surface Tension: 46.5 dyne/cm; (16)Density: 1.08 g/cm³; (17)Flash Point: 155.6 °C; (18)Enthalpy of Vaporization: 57.65 kJ/mol; (19)Boiling Point: 333.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000135 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)C2CCNCC2
(2)InChI: InChI=1/C12H14N2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
(3)InChIKey: WIAZPDPJRACUDP-UHFFFAOYAJ