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CAS No.: | 180698-19-5 |
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Name: | 1-(4-BIPHENYLYL)-PIPERAZINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C16H18N2 |
Molecular Weight: | 238.332 |
Synonyms: | 1-(4-Biphenyl)piperazine;1-(Biphenyl-4-yl)piperazine; |
Density: | 1.068 g/cm3 |
Melting Point: | 142-143°C |
Boiling Point: | 422 °C at 760 mmHg |
Flash Point: | 192.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 15.27000 |
LogP: | 3.15700 |
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This chemical is called Piperazine,1-[1,1'-biphenyl]-4-yl-, and its systematic name is 1-biphenyl-4-ylpiperazine. With the molecular formula of C16H18N2, its molecular weight is 238.33. The CAS registry number of this chemical is 180698-19-5. Additionally, its product category is Piperazines.
Other characteristics of the Piperazine,1-[1,1'-biphenyl]-4-yl- can be summarised as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.6; (7)ACD/KOC (pH 5.5): 1.41; (8)ACD/KOC (pH 7.4): 54.41; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 74.39 cm3; (15)Molar Volume: 223 cm3; (16)Polarizability: 29.49×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 192.2 °C; (20)Enthalpy of Vaporization: 67.61 kJ/mol; (21)Boiling Point: 422 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(ccc1c2ccccc2)N3CCNCC3
2.InChI: InChI=1/C16H18N2/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
3.InChIKey: OAKBDDKEEOAXNV-UHFFFAOYAH