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CAS No.: | 499771-07-2 |
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Name: | 1-Benzyl-4-(3-nitropyridin-2-yl)piperazine |
Molecular Structure: | |
Formula: | C16H18N4O2 |
Molecular Weight: | 298.34 |
Synonyms: | 1-Benzyl-4-(3-nitropyridin-2-yl)piperazine; |
Density: | 1.263g/cm3 |
Melting Point: | 64 °C |
Boiling Point: | 453 °C at 760 mmHg |
Flash Point: | 227.7 °C |
Hazard Symbols: | R34:Causes burns.; |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 65.19000 |
LogP: | 2.83810 |
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The 1-Benzyl-4-(3-nitropyridin-2-yl)piperazine with the CAS number 499771-07-2 is also called Piperazine,1-(3-nitro-2-pyridinyl)-4-(phenylmethyl)-. Its molecular formula is C16H18N4O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1-Benzyl-4-(3-nitropyridin-2-yl)piperazine are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 65.19 Å2; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 83.82 cm3; (9)Molar Volume: 236.1 cm3; (10)Polarizability: 33.23×10-24cm3; (11)Surface Tension: 58.6 dyne/cm; (12)Enthalpy of Vaporization: 71.23 kJ/mol; (13)Vapour Pressure: 2.15×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3cccnc3N2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C16H18N4O2/c21-20(22)15-7-4-8-17-16(15)19-11-9-18(10-12-19)13-14-5-2-1-3-6-14/h1-8H,9-13H2
(3)InChIKey: JSBNNOROVYIJTC-UHFFFAOYAN