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Cas Database |
| Name |
Methanone,(4-bromophenyl)-1-piperidinyl- |
EINECS | N/A |
| CAS No. | 98612-93-2 | Density | 1.406 g/cm3 |
| PSA | 20.31000 | LogP | 3.01310 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H14BrNO | Boiling Point | 378.6 °C at 760 mmHg |
| Molecular Weight | 268.153 | Flash Point | 182.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Piperidine,1-(4-bromobenzoyl)- (9CI);(4-bromophenyl)(piperidin-1-yl)methanone;(4-Bromo-phenyl)-piperidin-1-yl-methanone;(4-bromophenyl)-piperidin-1-ylmethanone; |
Article Data | 33 |
Methanone,(4-bromophenyl)-1-piperidinyl- Specification
The Methanone,(4-bromophenyl)-1-piperidinyl-, with the CAS registry number 98612-93-2, has the systematic name of (4-bromophenyl)(piperidin-1-yl)methanone. It belongs to the product category of Piperidine. And the molecular formula of the chemical is C12H14BrNO.
The characteristics of Methanone,(4-bromophenyl)-1-piperidinyl- are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 63.96 cm3; (9)Molar Volume: 190.7 cm3; (10)Polarizability: 25.35×10-24cm3; (11)Surface Tension: 46.1 dyne/cm; (12)Density: 1.406 g/cm3; (13)Flash Point: 182.8 °C; (14)Enthalpy of Vaporization: 62.66 kJ/mol; (15)Boiling Point: 378.6 °C at 760 mmHg; (16)Vapour Pressure: 6.2E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)N2CCCCC2
(2)InChI: InChI=1/C12H14BrNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
(3)InChIKey: IXWFXRPZWAIOTO-UHFFFAOYAG
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