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Name |
Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)- |
EINECS | N/A |
CAS No. | 55403-34-4 | Density | 1.249g/cm3 |
PSA | 65.19000 | LogP | 1.26770 |
Solubility | N/A | Melting Point |
108-110°C |
Formula | C10H14N4O2 | Boiling Point | 385.1 °C at 760 mmHg |
Molecular Weight | 222.247 | Flash Point | 186.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Methyl-4-(5-nitropyridin-2-yl)piperazine;2-(N-Methylpiperazino)-5-nitropyridine; |
Article Data | 22 |
The Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)-, with CAS registry number 55403-34-4, belongs to the following product categories: (1)Amines and Anilines; (2)Heterocycles. It has the systematic name of 1-methyl-4-(5-nitropyridin-2-yl)piperazine. And the chemical formula of this chemical is C10H14N4O2.
Physical properties of Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)-: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.35; (7)ACD/KOC (pH 5.5): 4.79; (8)ACD/KOC (pH 7.4): 105.65; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.19 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 59.36 cm3; (15)Molar Volume: 177.8 cm3; (16)Polarizability: 23.53×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.249 g/cm3; (19)Flash Point: 186.7 °C; (20)Enthalpy of Vaporization: 63.39 kJ/mol; (21)Boiling Point: 385.1 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(nc1)N2CCN(C)CC2
(2)InChI: InChI=1/C10H14N4O2/c1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16/h2-3,8H,4-7H2,1H3
(3)InChIKey: DZIASOMGGPNYCU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H14N4O2/c1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16/h2-3,8H,4-7H2,1H3
(5)Std. InChIKey: DZIASOMGGPNYCU-UHFFFAOYSA-N