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CAS No.: | 886362-49-8 |
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Name: | 4-(4'-Benzamide)piperidine |
Molecular Structure: | |
Formula: | C12H16N2O |
Molecular Weight: | 204.272 |
Synonyms: | 4-Piperidin-4-ylbenzamide; |
Density: | 1.101g/cm3 |
Boiling Point: | 380.9 °C at 760 mmHg |
Flash Point: | 184.2 °C |
PSA: | 55.12000 |
LogP: | 2.28160 |
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The 4-(4'-Benzamide)piperidine, with CAS registry number 886362-49-8, has the systematic name of 4-(piperidin-4-yl)benzamide. Besides this, it is also called 4-(4'-Benzamide)piperidine. Its molecular weight is 204.2682. And the chemical formula of this chemical is C12H16N2O.
Physical properties of 4-(4'-Benzamide)piperidine: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 55.12 Å2; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 59.78 cm3; (13)Molar Volume: 185.3 cm3; (14)Polarizability: 23.69×10-24cm3; (15)Surface Tension: 45.2 dyne/cm; (16)Density: 1.101 g/cm3; (17)Flash Point: 184.2 °C; (18)Enthalpy of Vaporization: 62.92 kJ/mol; (19)Boiling Point: 380.9 °C at 760 mmHg; (20)Vapour Pressure: 5.26E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)c1ccc(cc1)C2CCNCC2
(2)InChI: InChI=1/C12H16N2O/c13-12(15)11-3-1-9(2-4-11)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2,(H2,13,15)
(3)InChIKey: AQKSOYVHNMUJHZ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H16N2O/c13-12(15)11-3-1-9(2-4-11)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2,(H2,13,15)
(5)Std. InChIKey: AQKSOYVHNMUJHZ-UHFFFAOYSA-N