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CAS No.: | 83655-59-8 |
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Name: | 1-(5-NONYL)-PIPERAZINE |
Molecular Structure: | |
Formula: | C13H28N2 |
Molecular Weight: | 212.37 |
Synonyms: | 1-(5-Nonyl)-piperazine; |
Density: | 0.867 g/cm3 |
Boiling Point: | 269 °C at 760 mmHg |
Flash Point: | 73.6 °C |
Hazard Symbols: | Xi |
PSA: | 15.27000 |
LogP: | 2.90730 |
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The Piperidine,4-(1-butylpentyl)-, with the CAS registry number of 83655-59-8, is also known as 1-(5-Nonyl)-piperazine. This chemical's molecular formula is C13H28N2 and molecular weight is 212.37. What's more, its IUPAC name is 1-Nonan-5-ylpiperazine.
Physical properties about the Piperidine,4-(1-butylpentyl)- are: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.6; (7)ACD/KOC (pH 5.5): 2.85; (8)ACD/KOC (pH 7.4): 44.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 67.02 cm3; (15)Molar Volume: 244.7 cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.867 g/cm3; (18)Flash Point: 73.6 °C; (19)Enthalpy of Vaporization: 50.71 kJ/mol; (20)Boiling Point: 269 °C at 760 mmHg; (21)Vapour Pressure: 0.00746 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N1CCN(C(CCCC)CCCC)CC1
(2) InChI: InChI=1/C13H28N2/c1-3-5-7-13(8-6-4-2)15-11-9-14-10-12-15/h13-14H,3-12H2,1-2H3
(3) InChIKey: CZWMOMPWEKTUJW-UHFFFAOYAX