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CAS No.: | 735258-48-7 |
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Name: | PIPERIDINE-4-CARBOXYLIC ACID (4-CHLORO-PHENYL)-AMIDE |
Molecular Structure: | |
Formula: | C12H15ClN2O |
Molecular Weight: | 238.71 |
Synonyms: | Piperidine-4-carboxylic acid (4-chlorophenyl)amide |
Density: | 1.236 g/cm3 |
Boiling Point: | 435.7 °C at 760 mmHg |
Flash Point: | 217.3 °C |
PSA: | 41.13000 |
LogP: | 2.67990 |
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The N-(4-Chlorophenyl)piperidine-4-carboxamide, with CAS registry number 735258-48-7, has the systematic name of N-(4-chlorophenyl)piperidine-4-carboxamide. And the chemical formula of this chemical is C12H15ClN2O. Its molecular weight is 238.72.
Physical properties about this chemical are: (1)ACD/LogP: 2.25; (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: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 65.05 cm3; (13)Molar Volume: 193 cm3; (14)Polarizability: 25.78×10-24cm3; (15)Surface Tension: 49.2 dyne/cm; (16)Enthalpy of Vaporization: 69.2 kJ/mol; (17)Vapour Pressure: 8.57E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(Cl)cc1)C2CCNCC2
(2)InChI: InChI=1/C12H15ClN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)
(3)InChIKey: BWHUGLBSNCRSPC-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H15ClN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)
(5)Std. InChIKey: BWHUGLBSNCRSPC-UHFFFAOYSA-N