1-(3-Fluorophenyl)piperazine

The 1-(3-Fluorophenyl)piperazine, with the CAS registry number 3801-89-6, is also known as Piperazine, 1-(3-fluorophenyl)- and 1-(3-Fluorophenyl)piperazine 97%. It belongs to the product category of Piperazines. Its EINECS registry number is 223-271-9. This chemical's molecular formula is C₁₀H₁₃FN₂ and molecular weight is 180.22. Its IUPAC name and systematic name are the same which is called 1-(3-Fluorophenyl)piperazine.

Physical properties about this chemical are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.26; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 12.03; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 49.79 cm³; (15)Molar Volume: 161.9 cm³; (16)Surface Tension: 35.8 dyne/cm; (17)Density: 1.112 g/cm³; (18)Flash Point: 136.2 °C; (19)Enthalpy of Vaporization: 54.18 kJ/mol; (20)Boiling Point: 301.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00104 mmHg at 25°C。

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Besides, it irritates to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you wlii contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C2=CC(=CC=C2)F
(2)InChI: InChI=1S/C10H13FN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
(3)InChIKey: KIFCSMQTGWVMOD-UHFFFAOYSA-N