Methanone,(4-bromophenyl)-1-piperidinyl- supplier

Name
(4-BROMO-PHENYL)-PIPERIDIN-1-YL-METHANONE
EINECS
CAS No. 98612-93-2
Article Data33
CAS DataBase
Density 1.406 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄BrNO
Boiling Point 378.6 °C at 760 mmHg
Molecular Weight 268.153
Flash Point 182.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperidine,1-(4-bromobenzoyl)- (9CI);(4-bromophenyl)(piperidin-1-yl)methanone;(4-Bromo-phenyl)-piperidin-1-yl-methanone;(4-bromophenyl)-piperidin-1-ylmethanone;
PSA 20.31000
LogP 3.01310

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

Product Name

(4-BROMO-PHENYL)-PIPERIDIN-1-YL-METHANONE

Methanone,(4-bromophenyl)-1-piperidinyl- Specification

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