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| CAS No.: | 149554-06-3 |
|---|---|
| Name: | 4-(4'-Cyanophenyl)piperidine |
| Molecular Structure: | |
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| Formula: | C12H14N2 |
| Molecular Weight: | 186.25 |
| Synonyms: | 4-(Piperidin-4-yl)benzonitrile;4-(4'-Cyanophenyl)piperidine; |
| Density: | 1.085 g/cm3 |
| Boiling Point: | 333.641 °C at 760 mmHg |
| Flash Point: | 155.581 °C |
| PSA: | 35.82000 |
| LogP: | 2.35408 |
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- Total:38 Page 1 of 1 1
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Specification
The Benzonitrile,4-(4-piperidinyl)- with the CAS number 149554-06-3 is also called 4-(4'-Cyanophenyl)piperidine. The systematic name is 4-piperidin-4-ylbenzonitrile. Its molecular formula is C12H14N2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Benzonitrile,4-(4-piperidinyl)- are: (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)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 56.05 cm3; (15)Molar Volume: 171.6 cm3; (16)Polarizability: 22.22×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Enthalpy of Vaporization: 57.65 kJ/mol; (19)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