CAS No.104774-88-1,4-(3-Fluoro-phenyl)-piperidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104774-88-1
Name:	4-(3-Fluoro-phenyl)-piperidine
Article Data:	4

Formula:	C₁₁H₁₄FN
Molecular Weight:	179.237
Synonyms:	4-(3-Fluorophenyl)piperidine;
Density:	1.048 g/cm³
Boiling Point:	255.5 °C at 760 mmHg
Flash Point:	108.3 °C
Appearance:	Gray-white power
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
PSA:	12.03000
LogP:	2.62150

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Specification

The Piperidine,4-(3-fluorophenyl)- is an organic compound with the formula C₁₁H₁₄FN. The IUPAC name of this chemical is 4-(3-fluorophenyl)piperidine and the CAS registry number is 104774-88-1. In addition, the molecular weight is 179.23.

The other characteristics of Piperidine,4-(3-fluorophenyl)- can be summarized as: (1)ACD/LogP: 2.44; (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: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.03 Å²; (11)Index of Refraction: 1.506; (12)Molar Refractivity: 50.84 cm³; (13)Molar Volume: 170.8 cm³; (14)Polarizability: 20.15×10^-24 cm³; (15)Surface Tension: 34.2 dyne/cm; (16)Enthalpy of Vaporization: 49.3 kJ/mol; (17)Vapour Pressure: 0.0163 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Exact Mass: 179.111028; (20)MonoIsotopic Mass: 179.111028; (21)Topological Polar Surface Area: 12; (22)Heavy Atom Count: 13; (23)Complexity: 154.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1cc(ccc1)C2CCNCC2
2. InChI:InChI=1/C11H14FN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2
3. InChIKey:BCYGJJOHAFKLLF-UHFFFAOYAD
4. Std. InChI:InChI=1S/C11H14FN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2
5. Std. InChIKey:BCYGJJOHAFKLLF-UHFFFAOYSA-N