Ethanone, 2-(3-fluorophenyl)-1-(1-piperazinyl)- supplier

Name
1-[(3-Fluorophenyl)acetyl]piperazine hydrochloride
EINECS
CAS No. 926226-12-2
Density 1.172 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅FN₂O
Boiling Point 382.333 °C at 760 mmHg
Molecular Weight 222.262
Flash Point 185.029 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[(3-Fluorophenyl)acetyl]piperazine;
PSA 32.34000
LogP 1.86870

Ethanone, 2-(3-fluorophenyl)-1-(1-piperazinyl)- Specification

The Ethanone, 2-(3-fluorophenyl)-1-(1-piperazinyl)-, with the CAS registry number 926226-12-2, is also known as 1-[(3-Fluorophenyl)acetyl]piperazine. This chemical's molecular formula is C₁₂H₁₅FN₂O and molecular weight is 222.258703. Its IUPAC name is called 2-(3-fluorophenyl)-1-piperazin-1-ylethanone.

Physical properties of Ethanone, 2-(3-fluorophenyl)-1-(1-piperazinyl)-: (1)ACD/LogP: -0.67; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 50; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.535; (11)Molar Refractivity: 59.048 cm³; (12)Molar Volume: 189.712 cm³; (13)Surface Tension: 41.546 dyne/cm; (14)Density: 1.172 g/cm³; (15)Flash Point: 185.029 °C; (16)Enthalpy of Vaporization: 63.073 kJ/mol; (17)Boiling Point: 382.333 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C(=O)CC2=CC(=CC=C2)F
(2)InChI: InChI=1S/C12H15FN2O/c13-11-3-1-2-10(8-11)9-12(16)15-6-4-14-5-7-15/h1-3,8,14H,4-7,9H2
(3)InChIKey: ALMOQPWOZJNGSD-UHFFFAOYSA-N

Product Name

1-[(3-Fluorophenyl)acetyl]piperazine hydrochloride

Ethanone, 2-(3-fluorophenyl)-1-(1-piperazinyl)- Specification

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