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